smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072378642 191140769 /nfs/dbraw/zinc/14/07/69/191140769.db2.gz UANVUJILONMTSA-SFHVURJKSA-N 2 2 319.412 3.308 40 0 DGABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072378642 191140770 /nfs/dbraw/zinc/14/07/70/191140770.db2.gz UANVUJILONMTSA-SFHVURJKSA-N 2 2 319.412 3.308 40 0 DGABLP Fc1ccc(C[N@@H+]2CCC[C@@H]2c2cncc(-n3cc[nH+]c3)n2)cc1 ZINC000072378647 191141830 /nfs/dbraw/zinc/14/18/30/191141830.db2.gz ADTPQXILKPSZKF-QGZVFWFLSA-N 2 2 323.375 3.139 40 0 DGABLP Fc1ccc(C[N@H+]2CCC[C@@H]2c2cncc(-n3cc[nH+]c3)n2)cc1 ZINC000072378647 191141831 /nfs/dbraw/zinc/14/18/31/191141831.db2.gz ADTPQXILKPSZKF-QGZVFWFLSA-N 2 2 323.375 3.139 40 0 DGABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000257274163 203002624 /nfs/dbraw/zinc/00/26/24/203002624.db2.gz NJVDBGNILNUNOG-MRXNPFEDSA-N 2 2 316.474 3.245 40 0 DGABLP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000257274163 203002627 /nfs/dbraw/zinc/00/26/27/203002627.db2.gz NJVDBGNILNUNOG-MRXNPFEDSA-N 2 2 316.474 3.245 40 0 DGABLP CCc1nc(C)c(C[N@@H+]2CCC[C@@H](c3cc[nH+]c(NC)c3)C2)[nH]1 ZINC000257329398 203053323 /nfs/dbraw/zinc/05/33/23/203053323.db2.gz XJVHALPHGWBKLC-OAHLLOKOSA-N 2 2 313.449 3.097 40 0 DGABLP CCc1nc(C)c(C[N@H+]2CCC[C@@H](c3cc[nH+]c(NC)c3)C2)[nH]1 ZINC000257329398 203053327 /nfs/dbraw/zinc/05/33/27/203053327.db2.gz XJVHALPHGWBKLC-OAHLLOKOSA-N 2 2 313.449 3.097 40 0 DGABLP COc1cccc([C@H]2C[N@H+](Cc3ccccc3)[C@@H]3CCC[NH2+][C@@H]32)c1 ZINC000019566482 182130539 /nfs/dbraw/zinc/13/05/39/182130539.db2.gz SPVUSZZMDLUILH-NJDAHSKKSA-N 2 2 322.452 3.415 40 0 DGABLP COc1cccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCC[NH2+][C@@H]32)c1 ZINC000019566482 182130541 /nfs/dbraw/zinc/13/05/41/182130541.db2.gz SPVUSZZMDLUILH-NJDAHSKKSA-N 2 2 322.452 3.415 40 0 DGABLP c1coc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@H]3C2)c1 ZINC000306125080 275074728 /nfs/dbraw/zinc/07/47/28/275074728.db2.gz CGJWHTIQXRFTRA-DLBZAZTESA-N 2 2 319.408 3.447 40 0 DGABLP c1coc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@H]3C2)c1 ZINC000306125080 275074729 /nfs/dbraw/zinc/07/47/29/275074729.db2.gz CGJWHTIQXRFTRA-DLBZAZTESA-N 2 2 319.408 3.447 40 0 DGABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000072378715 431337212 /nfs/dbraw/zinc/33/72/12/431337212.db2.gz DVGZURQMZNEVCL-QGZVFWFLSA-N 2 2 311.433 3.440 40 0 DGABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000072378715 431337218 /nfs/dbraw/zinc/33/72/18/431337218.db2.gz DVGZURQMZNEVCL-QGZVFWFLSA-N 2 2 311.433 3.440 40 0 DGABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccccn2)o1 ZINC000036740251 431840583 /nfs/dbraw/zinc/84/05/83/431840583.db2.gz OUKLDDMBUDKENB-UHFFFAOYSA-N 2 2 310.401 3.272 40 0 DGABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccn2)o1 ZINC000036740251 431840585 /nfs/dbraw/zinc/84/05/85/431840585.db2.gz OUKLDDMBUDKENB-UHFFFAOYSA-N 2 2 310.401 3.272 40 0 DGABLP c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccn2)C3)co1 ZINC000096046944 431934952 /nfs/dbraw/zinc/93/49/52/431934952.db2.gz NAVOQRSEMVYFPF-LJQANCHMSA-N 2 2 311.429 3.163 40 0 DGABLP c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccn2)C3)co1 ZINC000096046944 431934954 /nfs/dbraw/zinc/93/49/54/431934954.db2.gz NAVOQRSEMVYFPF-LJQANCHMSA-N 2 2 311.429 3.163 40 0 DGABLP c1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccn2)C3)co1 ZINC000096046944 431934955 /nfs/dbraw/zinc/93/49/55/431934955.db2.gz NAVOQRSEMVYFPF-LJQANCHMSA-N 2 2 311.429 3.163 40 0 DGABLP c1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)co1 ZINC000096046944 431934956 /nfs/dbraw/zinc/93/49/56/431934956.db2.gz NAVOQRSEMVYFPF-LJQANCHMSA-N 2 2 311.429 3.163 40 0 DGABLP CCOC[C@H]1CCC2(CC[NH+](Cc3ccsc3)CC2)[N@@H+]1C ZINC000096216232 431942872 /nfs/dbraw/zinc/94/28/72/431942872.db2.gz UFAJMXHXEJEEKO-MRXNPFEDSA-N 2 2 308.491 3.213 40 0 DGABLP CCOC[C@H]1CCC2(CC[NH+](Cc3ccsc3)CC2)[N@H+]1C ZINC000096216232 431942874 /nfs/dbraw/zinc/94/28/74/431942874.db2.gz UFAJMXHXEJEEKO-MRXNPFEDSA-N 2 2 308.491 3.213 40 0 DGABLP CCOC[C@@H]1CCC2(CC[NH+](Cc3cccs3)CC2)[N@@H+]1C ZINC000096208833 431943171 /nfs/dbraw/zinc/94/31/71/431943171.db2.gz RNDKXIHORHBUDN-HNNXBMFYSA-N 2 2 308.491 3.213 40 0 DGABLP CCOC[C@@H]1CCC2(CC[NH+](Cc3cccs3)CC2)[N@H+]1C ZINC000096208833 431943174 /nfs/dbraw/zinc/94/31/74/431943174.db2.gz RNDKXIHORHBUDN-HNNXBMFYSA-N 2 2 308.491 3.213 40 0 DGABLP Cc1nc([C@@H]2CCCC[N@@H+]2Cc2cscn2)cc2c[nH+]cn21 ZINC000257267208 432424615 /nfs/dbraw/zinc/42/46/15/432424615.db2.gz MGJPHSHIATZDQL-INIZCTEOSA-N 2 2 313.430 3.221 40 0 DGABLP Cc1nc([C@@H]2CCCC[N@H+]2Cc2cscn2)cc2c[nH+]cn21 ZINC000257267208 432424620 /nfs/dbraw/zinc/42/46/20/432424620.db2.gz MGJPHSHIATZDQL-INIZCTEOSA-N 2 2 313.430 3.221 40 0 DGABLP c1cn(-c2nccnc2[C@H]2CCC[N@@H+](C3CCCCC3)C2)c[nH+]1 ZINC000072350476 191127814 /nfs/dbraw/zinc/12/78/14/191127814.db2.gz ZJAUAOZWWIGJQU-HNNXBMFYSA-N 2 2 311.433 3.174 40 0 DGABLP c1cn(-c2nccnc2[C@H]2CCC[N@H+](C3CCCCC3)C2)c[nH+]1 ZINC000072350476 191127817 /nfs/dbraw/zinc/12/78/17/191127817.db2.gz ZJAUAOZWWIGJQU-HNNXBMFYSA-N 2 2 311.433 3.174 40 0 DGABLP Cc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000072350473 191127120 /nfs/dbraw/zinc/12/71/20/191127120.db2.gz RISBGLGIOYKMHN-OAHLLOKOSA-N 2 2 311.433 3.093 40 0 DGABLP Cc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000072350473 191127122 /nfs/dbraw/zinc/12/71/22/191127122.db2.gz RISBGLGIOYKMHN-OAHLLOKOSA-N 2 2 311.433 3.093 40 0 DGABLP Cc1nn(C)cc1-c1c[nH+]cn1CCCn1cc[nH+]c1C(C)C ZINC000019719509 182138237 /nfs/dbraw/zinc/13/82/37/182138237.db2.gz PWURMAOQGODSMD-UHFFFAOYSA-N 2 2 312.421 3.002 40 0 DGABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccnc2)o1 ZINC000036740244 431841250 /nfs/dbraw/zinc/84/12/50/431841250.db2.gz FYZQDRRYKPVXSP-UHFFFAOYSA-N 2 2 310.401 3.272 40 0 DGABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccnc2)o1 ZINC000036740244 431841251 /nfs/dbraw/zinc/84/12/51/431841251.db2.gz FYZQDRRYKPVXSP-UHFFFAOYSA-N 2 2 310.401 3.272 40 0 DGABLP CCOC[C@@H]1CCC2(CC[NH+](Cc3ccsc3)CC2)[N@@H+]1C ZINC000096216230 431942284 /nfs/dbraw/zinc/94/22/84/431942284.db2.gz UFAJMXHXEJEEKO-INIZCTEOSA-N 2 2 308.491 3.213 40 0 DGABLP CCOC[C@@H]1CCC2(CC[NH+](Cc3ccsc3)CC2)[N@H+]1C ZINC000096216230 431942285 /nfs/dbraw/zinc/94/22/85/431942285.db2.gz UFAJMXHXEJEEKO-INIZCTEOSA-N 2 2 308.491 3.213 40 0 DGABLP CCOC[C@H]1CCC2(CC[NH+](Cc3cccs3)CC2)[N@@H+]1C ZINC000096208834 431942440 /nfs/dbraw/zinc/94/24/40/431942440.db2.gz RNDKXIHORHBUDN-OAHLLOKOSA-N 2 2 308.491 3.213 40 0 DGABLP CCOC[C@H]1CCC2(CC[NH+](Cc3cccs3)CC2)[N@H+]1C ZINC000096208834 431942443 /nfs/dbraw/zinc/94/24/43/431942443.db2.gz RNDKXIHORHBUDN-OAHLLOKOSA-N 2 2 308.491 3.213 40 0 DGABLP Cc1cscc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000376095199 433664610 /nfs/dbraw/zinc/66/46/10/433664610.db2.gz MYSPMHOUCCHHII-UHFFFAOYSA-N 2 2 301.459 3.206 40 0 DGABLP c1cc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)co1 ZINC000306133952 231088639 /nfs/dbraw/zinc/08/86/39/231088639.db2.gz NAFLIOPQGUPNNO-ROUUACIJSA-N 2 2 319.408 3.447 40 0 DGABLP c1cc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)co1 ZINC000306133952 231088642 /nfs/dbraw/zinc/08/86/42/231088642.db2.gz NAFLIOPQGUPNNO-ROUUACIJSA-N 2 2 319.408 3.447 40 0 DGABLP Cc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000072350474 191127278 /nfs/dbraw/zinc/12/72/78/191127278.db2.gz RISBGLGIOYKMHN-HNNXBMFYSA-N 2 2 311.433 3.093 40 0 DGABLP Cc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000072350474 191127280 /nfs/dbraw/zinc/12/72/80/191127280.db2.gz RISBGLGIOYKMHN-HNNXBMFYSA-N 2 2 311.433 3.093 40 0 DGABLP c1cn(-c2cncc(C3CC[NH+](Cc4ccccc4)CC3)n2)c[nH+]1 ZINC000072355454 191128433 /nfs/dbraw/zinc/12/84/33/191128433.db2.gz GRZRWGARIIMYMA-UHFFFAOYSA-N 2 2 319.412 3.042 40 0 DGABLP CCOC[C@@H]1CCC2(CC[NH+](Cc3ccc(C)o3)CC2)[N@@H+]1C ZINC000096209495 276330327 /nfs/dbraw/zinc/33/03/27/276330327.db2.gz BYZNTICMTORODL-INIZCTEOSA-N 2 2 306.450 3.053 40 0 DGABLP CCOC[C@@H]1CCC2(CC[NH+](Cc3ccc(C)o3)CC2)[N@H+]1C ZINC000096209495 276330328 /nfs/dbraw/zinc/33/03/28/276330328.db2.gz BYZNTICMTORODL-INIZCTEOSA-N 2 2 306.450 3.053 40 0 DGABLP Cc1nc(Cn2cc[nH+]c2[C@@H]2C[N@@H+](C)Cc3ccccc32)cs1 ZINC000306143573 279086994 /nfs/dbraw/zinc/08/69/94/279086994.db2.gz YFRKEUYTBJHQEO-QGZVFWFLSA-N 2 2 324.453 3.274 40 0 DGABLP Cc1nc(Cn2cc[nH+]c2[C@@H]2C[N@H+](C)Cc3ccccc32)cs1 ZINC000306143573 279086996 /nfs/dbraw/zinc/08/69/96/279086996.db2.gz YFRKEUYTBJHQEO-QGZVFWFLSA-N 2 2 324.453 3.274 40 0 DGABLP FC1(F)CC[N@H+](CC2CC2)C[C@]12CCN(c1cccc[nH+]1)C2 ZINC000096051159 431935751 /nfs/dbraw/zinc/93/57/51/431935751.db2.gz VAZGDLVZDDLUSM-INIZCTEOSA-N 2 2 307.388 3.029 40 0 DGABLP FC1(F)CC[N@@H+](CC2CC2)C[C@]12CCN(c1cccc[nH+]1)C2 ZINC000096051159 431935752 /nfs/dbraw/zinc/93/57/52/431935752.db2.gz VAZGDLVZDDLUSM-INIZCTEOSA-N 2 2 307.388 3.029 40 0 DGABLP Fc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC000096053850 431936295 /nfs/dbraw/zinc/93/62/95/431936295.db2.gz XTCYPGILFWGFKQ-HOTGVXAUSA-N 2 2 316.445 3.451 40 0 DGABLP c1ccc(NC[C@@H]2CCC[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]32)[nH+]c1 ZINC000096249016 431943581 /nfs/dbraw/zinc/94/35/81/431943581.db2.gz UYUQWNGQTFKOBD-IPMKNSEASA-N 2 2 322.456 3.437 40 0 DGABLP c1ccc(NC[C@@H]2CCC[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]32)[nH+]c1 ZINC000096249016 431943583 /nfs/dbraw/zinc/94/35/83/431943583.db2.gz UYUQWNGQTFKOBD-IPMKNSEASA-N 2 2 322.456 3.437 40 0 DGABLP Cc1[nH+]cc(-c2nccnc2[C@H]2CCC[N@@H+](CC(C)C)C2)n1C ZINC000257216534 432418184 /nfs/dbraw/zinc/41/81/84/432418184.db2.gz CUYJRMQPNXLDML-HNNXBMFYSA-N 2 2 313.449 3.021 40 0 DGABLP Cc1[nH+]cc(-c2nccnc2[C@H]2CCC[N@H+](CC(C)C)C2)n1C ZINC000257216534 432418187 /nfs/dbraw/zinc/41/81/87/432418187.db2.gz CUYJRMQPNXLDML-HNNXBMFYSA-N 2 2 313.449 3.021 40 0 DGABLP c1cn(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c[nH+]1 ZINC000072378619 191140543 /nfs/dbraw/zinc/14/05/43/191140543.db2.gz BTJLJLGTCRZOSQ-MRXNPFEDSA-N 2 2 319.412 3.042 40 0 DGABLP c1cn(-c2cccc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c[nH+]1 ZINC000072378619 191140545 /nfs/dbraw/zinc/14/05/45/191140545.db2.gz BTJLJLGTCRZOSQ-MRXNPFEDSA-N 2 2 319.412 3.042 40 0 DGABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072378630 191140904 /nfs/dbraw/zinc/14/09/04/191140904.db2.gz OQIHWLWWVWWJAW-SFHVURJKSA-N 2 2 319.412 3.308 40 0 DGABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072378630 191140907 /nfs/dbraw/zinc/14/09/07/191140907.db2.gz OQIHWLWWVWWJAW-SFHVURJKSA-N 2 2 319.412 3.308 40 0 DGABLP CNc1cccc(CC[C@H]2CCCCN2c2cc(C)[nH+]cn2)[nH+]1 ZINC000257297646 203022230 /nfs/dbraw/zinc/02/22/30/203022230.db2.gz RIGMPZVHFQSEDT-MRXNPFEDSA-N 2 2 311.433 3.213 40 0 DGABLP COc1cccc(F)c1C[N@@H+]1CCC[C@H](c2[nH+]c(C)cn2C)C1 ZINC000257332442 203054375 /nfs/dbraw/zinc/05/43/75/203054375.db2.gz XXIZYSVQBVJKLD-AWEZNQCLSA-N 2 2 317.408 3.256 40 0 DGABLP COc1cccc(F)c1C[N@H+]1CCC[C@H](c2[nH+]c(C)cn2C)C1 ZINC000257332442 203054379 /nfs/dbraw/zinc/05/43/79/203054379.db2.gz XXIZYSVQBVJKLD-AWEZNQCLSA-N 2 2 317.408 3.256 40 0 DGABLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]c(C)cn3C)C2)ccc1F ZINC000257342114 203065850 /nfs/dbraw/zinc/06/58/50/203065850.db2.gz ZNDHMWHZNDKFOD-OAHLLOKOSA-N 2 2 317.408 3.256 40 0 DGABLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH+]c(C)cn3C)C2)ccc1F ZINC000257342114 203065853 /nfs/dbraw/zinc/06/58/53/203065853.db2.gz ZNDHMWHZNDKFOD-OAHLLOKOSA-N 2 2 317.408 3.256 40 0 DGABLP Cc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+]3CC2CC2)s1 ZINC000096048916 431935119 /nfs/dbraw/zinc/93/51/19/431935119.db2.gz OQEIMYQONLQSDX-UHFFFAOYSA-N 2 2 320.502 3.133 40 0 DGABLP Cc1ccc(C[NH+]2CCC3(CC2)COCC[N@H+]3CC2CC2)s1 ZINC000096048916 431935122 /nfs/dbraw/zinc/93/51/22/431935122.db2.gz OQEIMYQONLQSDX-UHFFFAOYSA-N 2 2 320.502 3.133 40 0 DGABLP Fc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccsc4)C[C@@H]3C2)c1 ZINC000096053855 431936347 /nfs/dbraw/zinc/93/63/47/431936347.db2.gz HOBCYVPQUSKGDG-CALCHBBNSA-N 2 2 316.445 3.451 40 0 DGABLP Fc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccsc4)C[C@@H]3C2)c1 ZINC000096053855 431936349 /nfs/dbraw/zinc/93/63/49/431936349.db2.gz HOBCYVPQUSKGDG-CALCHBBNSA-N 2 2 316.445 3.451 40 0 DGABLP Fc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccsc4)C[C@@H]3C2)c1 ZINC000096053855 431936350 /nfs/dbraw/zinc/93/63/50/431936350.db2.gz HOBCYVPQUSKGDG-CALCHBBNSA-N 2 2 316.445 3.451 40 0 DGABLP Fc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccsc4)C[C@@H]3C2)c1 ZINC000096053855 431936353 /nfs/dbraw/zinc/93/63/53/431936353.db2.gz HOBCYVPQUSKGDG-CALCHBBNSA-N 2 2 316.445 3.451 40 0 DGABLP Fc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1 ZINC000096053851 431936837 /nfs/dbraw/zinc/93/68/37/431936837.db2.gz XTCYPGILFWGFKQ-HZPDHXFCSA-N 2 2 316.445 3.451 40 0 DGABLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)s1 ZINC000096053795 431937346 /nfs/dbraw/zinc/93/73/46/431937346.db2.gz VIGHMSDUAOAPSU-HZPDHXFCSA-N 2 2 313.470 3.015 40 0 DGABLP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cccc[nH+]2)nc1 ZINC000096081928 431937703 /nfs/dbraw/zinc/93/77/03/431937703.db2.gz VYZAOHYMKFZPSJ-YQVWRLOYSA-N 2 2 322.456 3.437 40 0 DGABLP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cccc[nH+]2)nc1 ZINC000096081928 431937704 /nfs/dbraw/zinc/93/77/04/431937704.db2.gz VYZAOHYMKFZPSJ-YQVWRLOYSA-N 2 2 322.456 3.437 40 0 DGABLP Cc1ccc(C[N@@H+]2CC[C@@H]3OCC[NH+](CC4CC4)[C@H]3CC2)s1 ZINC000248052814 432264406 /nfs/dbraw/zinc/26/44/06/432264406.db2.gz BIMIPXCXRUOKAD-ROUUACIJSA-N 2 2 320.502 3.132 40 0 DGABLP Cc1ccc(C[N@H+]2CC[C@@H]3OCC[NH+](CC4CC4)[C@H]3CC2)s1 ZINC000248052814 432264411 /nfs/dbraw/zinc/26/44/11/432264411.db2.gz BIMIPXCXRUOKAD-ROUUACIJSA-N 2 2 320.502 3.132 40 0 DGABLP Cc1ccc(C[NH+]2CC[C@@H]3OCC[N@H+](CC4CC4)[C@H]3CC2)s1 ZINC000248052814 432264414 /nfs/dbraw/zinc/26/44/14/432264414.db2.gz BIMIPXCXRUOKAD-ROUUACIJSA-N 2 2 320.502 3.132 40 0 DGABLP Cc1ccc(C[NH+]2CC[C@@H]3OCC[N@@H+](CC4CC4)[C@H]3CC2)s1 ZINC000248052814 432264418 /nfs/dbraw/zinc/26/44/18/432264418.db2.gz BIMIPXCXRUOKAD-ROUUACIJSA-N 2 2 320.502 3.132 40 0 DGABLP C[NH+](C)CC[C@H]1CN(Cc2cccc(Cl)c2)Cc2c[nH+]cn21 ZINC000248069365 432267143 /nfs/dbraw/zinc/26/71/43/432267143.db2.gz AQUBMGKXPQOTMY-INIZCTEOSA-N 2 2 318.852 3.045 40 0 DGABLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]c(C)cn3C)C2)c(F)c1 ZINC000257240614 432422324 /nfs/dbraw/zinc/42/23/24/432422324.db2.gz HUIHIKTYEBGZAW-HNNXBMFYSA-N 2 2 317.408 3.256 40 0 DGABLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH+]c(C)cn3C)C2)c(F)c1 ZINC000257240614 432422326 /nfs/dbraw/zinc/42/23/26/432422326.db2.gz HUIHIKTYEBGZAW-HNNXBMFYSA-N 2 2 317.408 3.256 40 0 DGABLP Fc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)cc1 ZINC000107731384 432038669 /nfs/dbraw/zinc/03/86/69/432038669.db2.gz XFUMQKSJHUFULB-QZTJIDSGSA-N 2 2 315.392 3.018 40 0 DGABLP Fc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)cc1 ZINC000107731384 432038674 /nfs/dbraw/zinc/03/86/74/432038674.db2.gz XFUMQKSJHUFULB-QZTJIDSGSA-N 2 2 315.392 3.018 40 0 DGABLP Cc1c[nH]c([C@@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)[nH+]1 ZINC000257319789 203042246 /nfs/dbraw/zinc/04/22/46/203042246.db2.gz VUAQQADBRUPQAI-CQSZACIVSA-N 2 2 303.381 3.116 40 0 DGABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](CCOc3ccc(F)cc3)C2)[nH+]1 ZINC000257319789 203042250 /nfs/dbraw/zinc/04/22/50/203042250.db2.gz VUAQQADBRUPQAI-CQSZACIVSA-N 2 2 303.381 3.116 40 0 DGABLP CCCCn1cc(C[N@@H+]2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)c(C)n1 ZINC000257319569 203042545 /nfs/dbraw/zinc/04/25/45/203042545.db2.gz VTBLYJZVZMNPQI-OAHLLOKOSA-N 2 2 301.438 3.013 40 0 DGABLP CCCCn1cc(C[N@H+]2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)c(C)n1 ZINC000257319569 203042548 /nfs/dbraw/zinc/04/25/48/203042548.db2.gz VTBLYJZVZMNPQI-OAHLLOKOSA-N 2 2 301.438 3.013 40 0 DGABLP COc1ccccc1/C=C/C[N@@H+]1CC[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019712500 400186799 /nfs/dbraw/zinc/18/67/99/400186799.db2.gz AGNBNOONGAZQFU-XJMNNFRSSA-N 2 2 300.446 3.315 40 0 DGABLP COc1ccccc1/C=C/C[N@H+]1CC[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019712500 400186806 /nfs/dbraw/zinc/18/68/06/400186806.db2.gz AGNBNOONGAZQFU-XJMNNFRSSA-N 2 2 300.446 3.315 40 0 DGABLP c1cc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@H]3C2)co1 ZINC000306133953 275064578 /nfs/dbraw/zinc/06/45/78/275064578.db2.gz NAFLIOPQGUPNNO-ZWKOTPCHSA-N 2 2 319.408 3.447 40 0 DGABLP c1cc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@H]3C2)co1 ZINC000306133953 275064579 /nfs/dbraw/zinc/06/45/79/275064579.db2.gz NAFLIOPQGUPNNO-ZWKOTPCHSA-N 2 2 319.408 3.447 40 0 DGABLP C[C@H](CC[NH+]1CCOCC1)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000001873629 431242991 /nfs/dbraw/zinc/24/29/91/431242991.db2.gz AVOCPUOPDRSMCW-CYBMUJFWSA-N 2 2 319.836 3.411 40 0 DGABLP c1coc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccn2)C3)c1 ZINC000096046939 431935047 /nfs/dbraw/zinc/93/50/47/431935047.db2.gz BFINUIBTGMQNDY-IBGZPJMESA-N 2 2 311.429 3.163 40 0 DGABLP c1coc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccn2)C3)c1 ZINC000096046939 431935048 /nfs/dbraw/zinc/93/50/48/431935048.db2.gz BFINUIBTGMQNDY-IBGZPJMESA-N 2 2 311.429 3.163 40 0 DGABLP c1coc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccn2)C3)c1 ZINC000096046939 431935051 /nfs/dbraw/zinc/93/50/51/431935051.db2.gz BFINUIBTGMQNDY-IBGZPJMESA-N 2 2 311.429 3.163 40 0 DGABLP c1coc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)c1 ZINC000096046939 431935052 /nfs/dbraw/zinc/93/50/52/431935052.db2.gz BFINUIBTGMQNDY-IBGZPJMESA-N 2 2 311.429 3.163 40 0 DGABLP c1coc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccn2)C3)c1 ZINC000096046940 431935265 /nfs/dbraw/zinc/93/52/65/431935265.db2.gz BFINUIBTGMQNDY-LJQANCHMSA-N 2 2 311.429 3.163 40 0 DGABLP c1coc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccn2)C3)c1 ZINC000096046940 431935268 /nfs/dbraw/zinc/93/52/68/431935268.db2.gz BFINUIBTGMQNDY-LJQANCHMSA-N 2 2 311.429 3.163 40 0 DGABLP c1coc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccn2)C3)c1 ZINC000096046940 431935269 /nfs/dbraw/zinc/93/52/69/431935269.db2.gz BFINUIBTGMQNDY-LJQANCHMSA-N 2 2 311.429 3.163 40 0 DGABLP c1coc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)c1 ZINC000096046940 431935271 /nfs/dbraw/zinc/93/52/71/431935271.db2.gz BFINUIBTGMQNDY-LJQANCHMSA-N 2 2 311.429 3.163 40 0 DGABLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)s1 ZINC000096053734 431937133 /nfs/dbraw/zinc/93/71/33/431937133.db2.gz JYSXYYBSSDLCQK-IRXDYDNUSA-N 2 2 313.470 3.015 40 0 DGABLP c1csc(C[N@@H+]2CC[C@]3(C2)CCCN(c2cccc[nH+]2)C3)n1 ZINC000096216643 431943245 /nfs/dbraw/zinc/94/32/45/431943245.db2.gz BJQNRZJQQPUICT-KRWDZBQOSA-N 2 2 314.458 3.031 40 0 DGABLP c1csc(C[N@H+]2CC[C@]3(C2)CCCN(c2cccc[nH+]2)C3)n1 ZINC000096216643 431943247 /nfs/dbraw/zinc/94/32/47/431943247.db2.gz BJQNRZJQQPUICT-KRWDZBQOSA-N 2 2 314.458 3.031 40 0 DGABLP Cc1c[nH]c([C@@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)[nH+]1 ZINC000257266504 432425726 /nfs/dbraw/zinc/42/57/26/432425726.db2.gz MDGXYTRXXPOOIO-QGZVFWFLSA-N 2 2 309.413 3.374 40 0 DGABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)[nH+]1 ZINC000257266504 432425732 /nfs/dbraw/zinc/42/57/32/432425732.db2.gz MDGXYTRXXPOOIO-QGZVFWFLSA-N 2 2 309.413 3.374 40 0 DGABLP C[N@H+](Cc1cccnc1)C1CC2(C1)CCN(c1cccc[nH+]1)CC2 ZINC000096159246 431940727 /nfs/dbraw/zinc/94/07/27/431940727.db2.gz AQVJHKGGDICCHD-UHFFFAOYSA-N 2 2 322.456 3.358 40 0 DGABLP C[N@@H+](Cc1cccnc1)C1CC2(C1)CCN(c1cccc[nH+]1)CC2 ZINC000096159246 431940729 /nfs/dbraw/zinc/94/07/29/431940729.db2.gz AQVJHKGGDICCHD-UHFFFAOYSA-N 2 2 322.456 3.358 40 0 DGABLP Cc1c[nH]c([C@@H]2CC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)[nH+]1 ZINC000257268302 432425563 /nfs/dbraw/zinc/42/55/63/432425563.db2.gz MLBGQCPNPWDLFH-GFCCVEGCSA-N 2 2 313.430 3.159 40 0 DGABLP Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)[nH+]1 ZINC000257268302 432425564 /nfs/dbraw/zinc/42/55/64/432425564.db2.gz MLBGQCPNPWDLFH-GFCCVEGCSA-N 2 2 313.430 3.159 40 0 DGABLP CNc1cc([C@H]2CCC[N@H+](Cc3scnc3C)C2)cc[nH+]1 ZINC000257335036 432425667 /nfs/dbraw/zinc/42/56/67/432425667.db2.gz YIKYHRCMSUDHNF-AWEZNQCLSA-N 2 2 302.447 3.268 40 0 DGABLP CNc1cc([C@H]2CCC[N@@H+](Cc3scnc3C)C2)cc[nH+]1 ZINC000257335036 432425668 /nfs/dbraw/zinc/42/56/68/432425668.db2.gz YIKYHRCMSUDHNF-AWEZNQCLSA-N 2 2 302.447 3.268 40 0 DGABLP CC(C)Nc1cc(-c2ccccc2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000242929431 432819120 /nfs/dbraw/zinc/81/91/20/432819120.db2.gz GYNHTNDQTLHXNG-UHFFFAOYSA-N 2 2 313.449 3.328 40 0 DGABLP Cc1ccc(C[N@@H+]2Cc3ccccc3O[C@@H](C[NH+](C)C)C2)s1 ZINC000019217269 431617490 /nfs/dbraw/zinc/61/74/90/431617490.db2.gz UKDQIXUBWZPZHY-INIZCTEOSA-N 2 2 316.470 3.381 40 0 DGABLP Cc1ccc(C[N@H+]2Cc3ccccc3O[C@@H](C[NH+](C)C)C2)s1 ZINC000019217269 431617497 /nfs/dbraw/zinc/61/74/97/431617497.db2.gz UKDQIXUBWZPZHY-INIZCTEOSA-N 2 2 316.470 3.381 40 0 DGABLP C[C@@H](CC[NH+]1CCOCC1)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000034721071 431820494 /nfs/dbraw/zinc/82/04/94/431820494.db2.gz AVOCPUOPDRSMCW-ZDUSSCGKSA-N 2 2 319.836 3.411 40 0 DGABLP Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH+]1 ZINC000257206641 432417545 /nfs/dbraw/zinc/41/75/45/432417545.db2.gz BEIVUIUTKDVQRA-QGZVFWFLSA-N 2 2 319.412 3.165 40 0 DGABLP Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH+]1 ZINC000257206641 432417550 /nfs/dbraw/zinc/41/75/50/432417550.db2.gz BEIVUIUTKDVQRA-QGZVFWFLSA-N 2 2 319.412 3.165 40 0 DGABLP CNc1cc(C[NH+](C)C)nc([C@@H]2CCCC[N@@H+]2C2CCCC2)n1 ZINC000072352018 191129531 /nfs/dbraw/zinc/12/95/31/191129531.db2.gz LPPGYHNLMWGHTQ-INIZCTEOSA-N 2 2 317.481 3.050 40 0 DGABLP CNc1cc(C[NH+](C)C)nc([C@@H]2CCCC[N@H+]2C2CCCC2)n1 ZINC000072352018 191129534 /nfs/dbraw/zinc/12/95/34/191129534.db2.gz LPPGYHNLMWGHTQ-INIZCTEOSA-N 2 2 317.481 3.050 40 0 DGABLP c1cn(-c2cccc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c[nH+]1 ZINC000072378632 191140736 /nfs/dbraw/zinc/14/07/36/191140736.db2.gz DSYPPXSQVCIRTA-QGZVFWFLSA-N 2 2 319.412 3.042 40 0 DGABLP c1cn(-c2cccc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c[nH+]1 ZINC000072378632 191140738 /nfs/dbraw/zinc/14/07/38/191140738.db2.gz DSYPPXSQVCIRTA-QGZVFWFLSA-N 2 2 319.412 3.042 40 0 DGABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000257274162 203002784 /nfs/dbraw/zinc/00/27/84/203002784.db2.gz NJVDBGNILNUNOG-INIZCTEOSA-N 2 2 316.474 3.245 40 0 DGABLP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000257274162 203002789 /nfs/dbraw/zinc/00/27/89/203002789.db2.gz NJVDBGNILNUNOG-INIZCTEOSA-N 2 2 316.474 3.245 40 0 DGABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000072378708 431337181 /nfs/dbraw/zinc/33/71/81/431337181.db2.gz PJYRQTVLCNXEEW-MRXNPFEDSA-N 2 2 311.433 3.304 40 0 DGABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000072378708 431337187 /nfs/dbraw/zinc/33/71/87/431337187.db2.gz PJYRQTVLCNXEEW-MRXNPFEDSA-N 2 2 311.433 3.304 40 0 DGABLP CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCC[NH+](C)C ZINC000008253415 431386582 /nfs/dbraw/zinc/38/65/82/431386582.db2.gz OWFAFFLJLFDWTI-UHFFFAOYSA-N 2 2 305.249 3.433 40 0 DGABLP c1coc(C[NH+]2CCC3(CCC[N@H+]3Cc3cccnc3)CC2)c1 ZINC000096049309 431935319 /nfs/dbraw/zinc/93/53/19/431935319.db2.gz UBJOZBGPLMMVBQ-UHFFFAOYSA-N 2 2 311.429 3.305 40 0 DGABLP c1coc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)c1 ZINC000096049309 431935321 /nfs/dbraw/zinc/93/53/21/431935321.db2.gz UBJOZBGPLMMVBQ-UHFFFAOYSA-N 2 2 311.429 3.305 40 0 DGABLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](Cc1ccccc1)CC2 ZINC000096255936 431943797 /nfs/dbraw/zinc/94/37/97/431943797.db2.gz VYXOKXXKGOQUIR-UHFFFAOYSA-N 2 2 312.461 3.084 40 0 DGABLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000096255936 431943798 /nfs/dbraw/zinc/94/37/98/431943798.db2.gz VYXOKXXKGOQUIR-UHFFFAOYSA-N 2 2 312.461 3.084 40 0 DGABLP C[NH+](C)C[C@H]1CN(Cc2cccc3ccccc32)Cc2c[nH+]cn21 ZINC000248081365 432266777 /nfs/dbraw/zinc/26/67/77/432266777.db2.gz CUNAQEVDGTTZJE-IBGZPJMESA-N 2 2 320.440 3.155 40 0 DGABLP Cc1nc([C@H]2CCCC[N@@H+]2Cc2cscn2)cc2c[nH+]cn21 ZINC000257267209 432425573 /nfs/dbraw/zinc/42/55/73/432425573.db2.gz MGJPHSHIATZDQL-MRXNPFEDSA-N 2 2 313.430 3.221 40 0 DGABLP Cc1nc([C@H]2CCCC[N@H+]2Cc2cscn2)cc2c[nH+]cn21 ZINC000257267209 432425574 /nfs/dbraw/zinc/42/55/74/432425574.db2.gz MGJPHSHIATZDQL-MRXNPFEDSA-N 2 2 313.430 3.221 40 0 DGABLP c1cn(-c2nccnc2[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000072350480 191128026 /nfs/dbraw/zinc/12/80/26/191128026.db2.gz MRHFAKLTJFBQAJ-KRWDZBQOSA-N 2 2 319.412 3.042 40 0 DGABLP c1cn(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000072350480 191128027 /nfs/dbraw/zinc/12/80/27/191128027.db2.gz MRHFAKLTJFBQAJ-KRWDZBQOSA-N 2 2 319.412 3.042 40 0 DGABLP c1cn(-c2cccc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c[nH+]1 ZINC000072378618 191141726 /nfs/dbraw/zinc/14/17/26/191141726.db2.gz BTJLJLGTCRZOSQ-INIZCTEOSA-N 2 2 319.412 3.042 40 0 DGABLP c1cn(-c2cccc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c[nH+]1 ZINC000072378618 191141728 /nfs/dbraw/zinc/14/17/28/191141728.db2.gz BTJLJLGTCRZOSQ-INIZCTEOSA-N 2 2 319.412 3.042 40 0 DGABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072378643 191141854 /nfs/dbraw/zinc/14/18/54/191141854.db2.gz UANVUJILONMTSA-GOSISDBHSA-N 2 2 319.412 3.308 40 0 DGABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072378643 191141856 /nfs/dbraw/zinc/14/18/56/191141856.db2.gz UANVUJILONMTSA-GOSISDBHSA-N 2 2 319.412 3.308 40 0 DGABLP COc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1OC ZINC000093563921 193267838 /nfs/dbraw/zinc/26/78/38/193267838.db2.gz GMNJVVRMSPSEDT-KRWDZBQOSA-N 2 2 318.461 3.154 40 0 DGABLP COc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1OC ZINC000093563921 193267840 /nfs/dbraw/zinc/26/78/40/193267840.db2.gz GMNJVVRMSPSEDT-KRWDZBQOSA-N 2 2 318.461 3.154 40 0 DGABLP Fc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)cc1 ZINC000096048558 431935185 /nfs/dbraw/zinc/93/51/85/431935185.db2.gz XFUMQKSJHUFULB-ROUUACIJSA-N 2 2 315.392 3.018 40 0 DGABLP Fc1ccc(C[N@H+]2CCC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)cc1 ZINC000096048558 431935187 /nfs/dbraw/zinc/93/51/87/431935187.db2.gz XFUMQKSJHUFULB-ROUUACIJSA-N 2 2 315.392 3.018 40 0 DGABLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc(F)c4)C[C@@H]3C2)o1 ZINC000096053862 431936265 /nfs/dbraw/zinc/93/62/65/431936265.db2.gz BJPPALGUHJGSHI-IAGOWNOFSA-N 2 2 314.404 3.291 40 0 DGABLP COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CC[N@@H+](C3CCC3)C1)C2 ZINC000306125150 533913516 /nfs/dbraw/zinc/91/35/16/533913516.db2.gz CIBVZMRVZZADBF-FQEVSTJZSA-N 2 2 323.440 3.359 40 0 DGABLP COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CC[N@H+](C3CCC3)C1)C2 ZINC000306125150 533913525 /nfs/dbraw/zinc/91/35/25/533913525.db2.gz CIBVZMRVZZADBF-FQEVSTJZSA-N 2 2 323.440 3.359 40 0 DGABLP c1ccc(COc2ccc(C[NH2+]CC[NH+]3CCCC3)cc2)cc1 ZINC000060844455 1195160213 /nfs/dbraw/zinc/16/02/13/1195160213.db2.gz HTNATGXIZIIXJD-UHFFFAOYSA-N 2 2 310.441 3.451 40 0 DGABLP CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cc[nH+]cc1 ZINC000225585115 186280327 /nfs/dbraw/zinc/28/03/27/186280327.db2.gz BNKXBYOHYIKAKJ-HNNXBMFYSA-N 2 2 306.479 3.023 40 0 DGABLP CC[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1cc[nH+]cc1 ZINC000225585115 186280328 /nfs/dbraw/zinc/28/03/28/186280328.db2.gz BNKXBYOHYIKAKJ-HNNXBMFYSA-N 2 2 306.479 3.023 40 0 DGABLP CNc1cc(C[NH+](C)C)nc([C@H]2CCCC[N@@H+]2C2CCCC2)n1 ZINC000072352019 191129452 /nfs/dbraw/zinc/12/94/52/191129452.db2.gz LPPGYHNLMWGHTQ-MRXNPFEDSA-N 2 2 317.481 3.050 40 0 DGABLP CNc1cc(C[NH+](C)C)nc([C@H]2CCCC[N@H+]2C2CCCC2)n1 ZINC000072352019 191129454 /nfs/dbraw/zinc/12/94/54/191129454.db2.gz LPPGYHNLMWGHTQ-MRXNPFEDSA-N 2 2 317.481 3.050 40 0 DGABLP Cc1cn(C)c([C@@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)[nH+]1 ZINC000257294685 203018953 /nfs/dbraw/zinc/01/89/53/203018953.db2.gz QVGZCZLBYUPWNI-GOSISDBHSA-N 2 2 323.440 3.384 40 0 DGABLP Cc1cn(C)c([C@@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)[nH+]1 ZINC000257294685 203018958 /nfs/dbraw/zinc/01/89/58/203018958.db2.gz QVGZCZLBYUPWNI-GOSISDBHSA-N 2 2 323.440 3.384 40 0 DGABLP C[NH+](C)Cc1cccc(-c2ccc(NC[C@H]3CCCO3)[nH+]c2)c1 ZINC000629707663 401052279 /nfs/dbraw/zinc/05/22/79/401052279.db2.gz WELPGARTLTZGTB-GOSISDBHSA-N 2 2 311.429 3.401 40 0 DGABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000072378714 431334815 /nfs/dbraw/zinc/33/48/15/431334815.db2.gz DVGZURQMZNEVCL-KRWDZBQOSA-N 2 2 311.433 3.440 40 0 DGABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000072378714 431334822 /nfs/dbraw/zinc/33/48/22/431334822.db2.gz DVGZURQMZNEVCL-KRWDZBQOSA-N 2 2 311.433 3.440 40 0 DGABLP Cc1ccc(C[N@@H+]2CC[C@H]3OCC[NH+](CC4CC4)[C@H]3CC2)s1 ZINC000096249305 431944075 /nfs/dbraw/zinc/94/40/75/431944075.db2.gz BIMIPXCXRUOKAD-ZWKOTPCHSA-N 2 2 320.502 3.132 40 0 DGABLP Cc1ccc(C[N@H+]2CC[C@H]3OCC[NH+](CC4CC4)[C@H]3CC2)s1 ZINC000096249305 431944077 /nfs/dbraw/zinc/94/40/77/431944077.db2.gz BIMIPXCXRUOKAD-ZWKOTPCHSA-N 2 2 320.502 3.132 40 0 DGABLP Cc1ccc(C[NH+]2CC[C@H]3OCC[N@H+](CC4CC4)[C@H]3CC2)s1 ZINC000096249305 431944080 /nfs/dbraw/zinc/94/40/80/431944080.db2.gz BIMIPXCXRUOKAD-ZWKOTPCHSA-N 2 2 320.502 3.132 40 0 DGABLP Cc1ccc(C[NH+]2CC[C@H]3OCC[N@@H+](CC4CC4)[C@H]3CC2)s1 ZINC000096249305 431944082 /nfs/dbraw/zinc/94/40/82/431944082.db2.gz BIMIPXCXRUOKAD-ZWKOTPCHSA-N 2 2 320.502 3.132 40 0 DGABLP C[NH+](C)C[C@@H]1CN(Cc2cccc3ccccc32)Cc2c[nH+]cn21 ZINC000248081370 432265365 /nfs/dbraw/zinc/26/53/65/432265365.db2.gz CUNAQEVDGTTZJE-LJQANCHMSA-N 2 2 320.440 3.155 40 0 DGABLP Cc1c[nH]c([C@@H]2CC[N@H+](Cc3ccccc3N3CCCC3)C2)[nH+]1 ZINC000257220432 432418801 /nfs/dbraw/zinc/41/88/01/432418801.db2.gz DKVCBFCYIGTKKN-QGZVFWFLSA-N 2 2 310.445 3.308 40 0 DGABLP Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3ccccc3N3CCCC3)C2)[nH+]1 ZINC000257220432 432418804 /nfs/dbraw/zinc/41/88/04/432418804.db2.gz DKVCBFCYIGTKKN-QGZVFWFLSA-N 2 2 310.445 3.308 40 0 DGABLP Cc1[nH+]cc(-c2ccc(C[C@@H]3CCC[N@@H+](C(C)C)C3)cn2)n1C ZINC000257208864 432419283 /nfs/dbraw/zinc/41/92/83/432419283.db2.gz BNVXCGBKYCPMJI-KRWDZBQOSA-N 2 2 312.461 3.453 40 0 DGABLP Cc1[nH+]cc(-c2ccc(C[C@@H]3CCC[N@H+](C(C)C)C3)cn2)n1C ZINC000257208864 432419288 /nfs/dbraw/zinc/41/92/88/432419288.db2.gz BNVXCGBKYCPMJI-KRWDZBQOSA-N 2 2 312.461 3.453 40 0 DGABLP CC[NH+]1CCC([NH+]2CCC(Cc3cc[nH+]c(C)c3)CC2)CC1 ZINC000257271657 432425241 /nfs/dbraw/zinc/42/52/41/432425241.db2.gz MZFPRHLOKTZOCX-UHFFFAOYSA-N 3 2 301.478 3.129 40 0 DGABLP Fc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)cc1 ZINC000107731387 432038715 /nfs/dbraw/zinc/03/87/15/432038715.db2.gz XFUMQKSJHUFULB-MSOLQXFVSA-N 2 2 315.392 3.018 40 0 DGABLP Fc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)cc1 ZINC000107731387 432038717 /nfs/dbraw/zinc/03/87/17/432038717.db2.gz XFUMQKSJHUFULB-MSOLQXFVSA-N 2 2 315.392 3.018 40 0 DGABLP Cc1c[nH]c([C@H]2CC[N@H+](CCCOc3ccccc3F)C2)[nH+]1 ZINC000257307669 203032049 /nfs/dbraw/zinc/03/20/49/203032049.db2.gz SZTHSSLLQWEVSI-AWEZNQCLSA-N 2 2 303.381 3.116 40 0 DGABLP Cc1c[nH]c([C@H]2CC[N@@H+](CCCOc3ccccc3F)C2)[nH+]1 ZINC000257307669 203032052 /nfs/dbraw/zinc/03/20/52/203032052.db2.gz SZTHSSLLQWEVSI-AWEZNQCLSA-N 2 2 303.381 3.116 40 0 DGABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2c[nH]cn2)s1 ZINC000019217149 182108371 /nfs/dbraw/zinc/10/83/71/182108371.db2.gz WRLCRKLWLQJPLD-UHFFFAOYSA-N 2 2 315.446 3.069 40 0 DGABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2c[nH]cn2)s1 ZINC000019217149 182108373 /nfs/dbraw/zinc/10/83/73/182108373.db2.gz WRLCRKLWLQJPLD-UHFFFAOYSA-N 2 2 315.446 3.069 40 0 DGABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cnc[nH]2)s1 ZINC000019217149 182108375 /nfs/dbraw/zinc/10/83/75/182108375.db2.gz WRLCRKLWLQJPLD-UHFFFAOYSA-N 2 2 315.446 3.069 40 0 DGABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cnc[nH]2)s1 ZINC000019217149 182108376 /nfs/dbraw/zinc/10/83/76/182108376.db2.gz WRLCRKLWLQJPLD-UHFFFAOYSA-N 2 2 315.446 3.069 40 0 DGABLP Cc1ccc(C[N@@H+]2Cc3ccccc3O[C@H](C[NH+](C)C)C2)s1 ZINC000019217267 431620277 /nfs/dbraw/zinc/62/02/77/431620277.db2.gz UKDQIXUBWZPZHY-MRXNPFEDSA-N 2 2 316.470 3.381 40 0 DGABLP Cc1ccc(C[N@H+]2Cc3ccccc3O[C@H](C[NH+](C)C)C2)s1 ZINC000019217267 431620285 /nfs/dbraw/zinc/62/02/85/431620285.db2.gz UKDQIXUBWZPZHY-MRXNPFEDSA-N 2 2 316.470 3.381 40 0 DGABLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc(F)c4)C[C@H]3C2)o1 ZINC000096053861 431936158 /nfs/dbraw/zinc/93/61/58/431936158.db2.gz BJPPALGUHJGSHI-CALCHBBNSA-N 2 2 314.404 3.291 40 0 DGABLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc(F)c4)C[C@H]3C2)o1 ZINC000096053861 431936159 /nfs/dbraw/zinc/93/61/59/431936159.db2.gz BJPPALGUHJGSHI-CALCHBBNSA-N 2 2 314.404 3.291 40 0 DGABLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc(F)c4)C[C@H]3C2)o1 ZINC000096053861 431936162 /nfs/dbraw/zinc/93/61/62/431936162.db2.gz BJPPALGUHJGSHI-CALCHBBNSA-N 2 2 314.404 3.291 40 0 DGABLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc(F)c4)C[C@H]3C2)o1 ZINC000096053861 431936165 /nfs/dbraw/zinc/93/61/65/431936165.db2.gz BJPPALGUHJGSHI-CALCHBBNSA-N 2 2 314.404 3.291 40 0 DGABLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)s1 ZINC000096053732 431936503 /nfs/dbraw/zinc/93/65/03/431936503.db2.gz JYSXYYBSSDLCQK-CALCHBBNSA-N 2 2 313.470 3.015 40 0 DGABLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)s1 ZINC000096053732 431936506 /nfs/dbraw/zinc/93/65/06/431936506.db2.gz JYSXYYBSSDLCQK-CALCHBBNSA-N 2 2 313.470 3.015 40 0 DGABLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)s1 ZINC000096053732 431936509 /nfs/dbraw/zinc/93/65/09/431936509.db2.gz JYSXYYBSSDLCQK-CALCHBBNSA-N 2 2 313.470 3.015 40 0 DGABLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)s1 ZINC000096053732 431936510 /nfs/dbraw/zinc/93/65/10/431936510.db2.gz JYSXYYBSSDLCQK-CALCHBBNSA-N 2 2 313.470 3.015 40 0 DGABLP Cc1nc(C[N@@H+](C)[C@@H]2CCCN(c3cccc(C)[nH+]3)C2)cs1 ZINC000257246312 432421719 /nfs/dbraw/zinc/42/17/19/432421719.db2.gz ITOHBXGISWXQGS-MRXNPFEDSA-N 2 2 316.474 3.256 40 0 DGABLP Cc1nc(C[N@H+](C)[C@@H]2CCCN(c3cccc(C)[nH+]3)C2)cs1 ZINC000257246312 432421721 /nfs/dbraw/zinc/42/17/21/432421721.db2.gz ITOHBXGISWXQGS-MRXNPFEDSA-N 2 2 316.474 3.256 40 0 DGABLP CCc1ccc(Nc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228937472 563914643 /nfs/dbraw/zinc/91/46/43/563914643.db2.gz FVWPKZXUPWNBTM-UHFFFAOYSA-N 2 2 322.416 3.057 40 0 DGABLP CCc1nc(C)c(C[N@@H+]2CCC[C@H](c3cc[nH+]c(NC)c3)C2)[nH]1 ZINC000257329397 203053781 /nfs/dbraw/zinc/05/37/81/203053781.db2.gz XJVHALPHGWBKLC-HNNXBMFYSA-N 2 2 313.449 3.097 40 0 DGABLP CCc1nc(C)c(C[N@H+]2CCC[C@H](c3cc[nH+]c(NC)c3)C2)[nH]1 ZINC000257329397 203053784 /nfs/dbraw/zinc/05/37/84/203053784.db2.gz XJVHALPHGWBKLC-HNNXBMFYSA-N 2 2 313.449 3.097 40 0 DGABLP CCCCn1cc(C[N@@H+]2CC[C@H](c3[nH]cc(C)[nH+]3)C2)c(C)n1 ZINC000257319568 203042961 /nfs/dbraw/zinc/04/29/61/203042961.db2.gz VTBLYJZVZMNPQI-HNNXBMFYSA-N 2 2 301.438 3.013 40 0 DGABLP CCCCn1cc(C[N@H+]2CC[C@H](c3[nH]cc(C)[nH+]3)C2)c(C)n1 ZINC000257319568 203042966 /nfs/dbraw/zinc/04/29/66/203042966.db2.gz VTBLYJZVZMNPQI-HNNXBMFYSA-N 2 2 301.438 3.013 40 0 DGABLP Cc1ccc(Nc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)cc1C ZINC000228922736 257214566 /nfs/dbraw/zinc/21/45/66/257214566.db2.gz BMAGDAZDGFRUKU-UHFFFAOYSA-N 2 2 322.416 3.111 40 0 DGABLP Cc1[nH+]cc(-c2nccnc2[C@@H]2CCC[N@@H+](CC(C)C)C2)n1C ZINC000257216535 432419197 /nfs/dbraw/zinc/41/91/97/432419197.db2.gz CUYJRMQPNXLDML-OAHLLOKOSA-N 2 2 313.449 3.021 40 0 DGABLP Cc1[nH+]cc(-c2nccnc2[C@@H]2CCC[N@H+](CC(C)C)C2)n1C ZINC000257216535 432419203 /nfs/dbraw/zinc/41/92/03/432419203.db2.gz CUYJRMQPNXLDML-OAHLLOKOSA-N 2 2 313.449 3.021 40 0 DGABLP c1ccc(Oc2cccc3c(N4CC[NH2+]CC4)cc[nH+]c23)cc1 ZINC000225321870 432688449 /nfs/dbraw/zinc/68/84/49/432688449.db2.gz TZUKTXMXMNPREN-UHFFFAOYSA-N 2 2 305.381 3.437 40 0 DGABLP Fc1ccc(C[N@@H+]2CCC[C@H]2c2cncc(-n3cc[nH+]c3)n2)cc1 ZINC000072378648 191141400 /nfs/dbraw/zinc/14/14/00/191141400.db2.gz ADTPQXILKPSZKF-KRWDZBQOSA-N 2 2 323.375 3.139 40 0 DGABLP Fc1ccc(C[N@H+]2CCC[C@H]2c2cncc(-n3cc[nH+]c3)n2)cc1 ZINC000072378648 191141401 /nfs/dbraw/zinc/14/14/01/191141401.db2.gz ADTPQXILKPSZKF-KRWDZBQOSA-N 2 2 323.375 3.139 40 0 DGABLP Cc1cn(C)c([C@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)[nH+]1 ZINC000257294686 203018176 /nfs/dbraw/zinc/01/81/76/203018176.db2.gz QVGZCZLBYUPWNI-SFHVURJKSA-N 2 2 323.440 3.384 40 0 DGABLP Cc1cn(C)c([C@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)[nH+]1 ZINC000257294686 203018179 /nfs/dbraw/zinc/01/81/79/203018179.db2.gz QVGZCZLBYUPWNI-SFHVURJKSA-N 2 2 323.440 3.384 40 0 DGABLP CNc1cc([C@@H]2CCC[N@H+](Cc3ccnn3C(C)C)C2)cc[nH+]1 ZINC000257329115 203052916 /nfs/dbraw/zinc/05/29/16/203052916.db2.gz XINMLWWGURRGPB-MRXNPFEDSA-N 2 2 313.449 3.280 40 0 DGABLP CNc1cc([C@@H]2CCC[N@@H+](Cc3ccnn3C(C)C)C2)cc[nH+]1 ZINC000257329115 203052920 /nfs/dbraw/zinc/05/29/20/203052920.db2.gz XINMLWWGURRGPB-MRXNPFEDSA-N 2 2 313.449 3.280 40 0 DGABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2c2cc[nH+]c(C)n2)n1 ZINC000072355617 274859683 /nfs/dbraw/zinc/85/96/83/274859683.db2.gz IIYGJJYWVJWXQU-INIZCTEOSA-N 2 2 320.400 3.016 40 0 DGABLP COc1ccc(-c2cn3c4c(n(C(C)C)c3[nH+]2)CC[NH2+]C4)cc1 ZINC000306125832 277396771 /nfs/dbraw/zinc/39/67/71/277396771.db2.gz DDEPQKGPHXISGM-UHFFFAOYSA-N 2 2 310.401 3.038 40 0 DGABLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc(F)c4)C[C@H]3C2)o1 ZINC000096053863 431937241 /nfs/dbraw/zinc/93/72/41/431937241.db2.gz BJPPALGUHJGSHI-IRXDYDNUSA-N 2 2 314.404 3.291 40 0 DGABLP Cc1ccc(C)c(Nc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228937059 563914600 /nfs/dbraw/zinc/91/46/00/563914600.db2.gz GFYZDXOMVROCMZ-UHFFFAOYSA-N 2 2 322.416 3.111 40 0 DGABLP COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)[C@H]3CCC[NH2+][C@@H]23)cc1 ZINC000257225057 202959770 /nfs/dbraw/zinc/95/97/70/202959770.db2.gz FEPRSOXUTWIYQW-ACRUOGEOSA-N 2 2 322.452 3.415 40 0 DGABLP COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)[C@H]3CCC[NH2+][C@@H]23)cc1 ZINC000257225057 202959773 /nfs/dbraw/zinc/95/97/73/202959773.db2.gz FEPRSOXUTWIYQW-ACRUOGEOSA-N 2 2 322.452 3.415 40 0 DGABLP Cc1ccc(C[N@H+]2CCC[C@H]2c2nccc(C[NH+](C)C)n2)s1 ZINC000257336987 203057755 /nfs/dbraw/zinc/05/77/55/203057755.db2.gz YQXJQEMCDREPDO-INIZCTEOSA-N 2 2 316.474 3.245 40 0 DGABLP Cc1ccc(C[N@@H+]2CCC[C@H]2c2nccc(C[NH+](C)C)n2)s1 ZINC000257336987 203057757 /nfs/dbraw/zinc/05/77/57/203057757.db2.gz YQXJQEMCDREPDO-INIZCTEOSA-N 2 2 316.474 3.245 40 0 DGABLP CCc1[nH]c(C[N@@H+]2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)c(C)[nH+]1 ZINC000585286458 400129910 /nfs/dbraw/zinc/12/99/10/400129910.db2.gz QTQAWLVZSJZORW-KBXCAEBGSA-N 2 2 305.466 3.450 40 0 DGABLP CCc1[nH]c(C[N@H+]2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)c(C)[nH+]1 ZINC000585286458 400129912 /nfs/dbraw/zinc/12/99/12/400129912.db2.gz QTQAWLVZSJZORW-KBXCAEBGSA-N 2 2 305.466 3.450 40 0 DGABLP COc1cccc2cc(C[N@@H+]3CC[C@H]4[NH2+]CCCC[C@H]43)oc21 ZINC000019712466 400186091 /nfs/dbraw/zinc/18/60/91/400186091.db2.gz NIXNLIXFZQPZCX-HZPDHXFCSA-N 2 2 300.402 3.158 40 0 DGABLP COc1cccc2cc(C[N@H+]3CC[C@H]4[NH2+]CCCC[C@H]43)oc21 ZINC000019712466 400186097 /nfs/dbraw/zinc/18/60/97/400186097.db2.gz NIXNLIXFZQPZCX-HZPDHXFCSA-N 2 2 300.402 3.158 40 0 DGABLP Cc1cc(NCC[NH+](C)C)nc(Nc2ccc(Cl)cc2)[nH+]1 ZINC000001687218 431236040 /nfs/dbraw/zinc/23/60/40/431236040.db2.gz YIPYIUZKSAVEHB-UHFFFAOYSA-N 2 2 305.813 3.156 40 0 DGABLP Cc1nn(C)cc1-c1c[nH+]cn1[C@H](CC[NH+](C)C)c1ccccc1 ZINC000019719507 431619797 /nfs/dbraw/zinc/61/97/97/431619797.db2.gz XUJJFLCJYCEQEV-GOSISDBHSA-N 2 2 323.444 3.133 40 0 DGABLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]c(C)cn3C)C2)c(F)c1 ZINC000257240615 432422935 /nfs/dbraw/zinc/42/29/35/432422935.db2.gz HUIHIKTYEBGZAW-OAHLLOKOSA-N 2 2 317.408 3.256 40 0 DGABLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]c(C)cn3C)C2)c(F)c1 ZINC000257240615 432422943 /nfs/dbraw/zinc/42/29/43/432422943.db2.gz HUIHIKTYEBGZAW-OAHLLOKOSA-N 2 2 317.408 3.256 40 0 DGABLP Cc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](CC4CC4)C[C@H]2C3)cc1 ZINC000306140225 434083082 /nfs/dbraw/zinc/08/30/82/434083082.db2.gz UNIZCVOBSDJNGN-MSOLQXFVSA-N 2 2 307.441 3.373 40 0 DGABLP Cc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](CC4CC4)C[C@H]2C3)cc1 ZINC000306140225 434083092 /nfs/dbraw/zinc/08/30/92/434083092.db2.gz UNIZCVOBSDJNGN-MSOLQXFVSA-N 2 2 307.441 3.373 40 0 DGABLP Cc1c[nH]c([C@@H]2CC[N@H+](CCCOc3ccccc3F)C2)[nH+]1 ZINC000257307670 203033049 /nfs/dbraw/zinc/03/30/49/203033049.db2.gz SZTHSSLLQWEVSI-CQSZACIVSA-N 2 2 303.381 3.116 40 0 DGABLP Cc1c[nH]c([C@@H]2CC[N@@H+](CCCOc3ccccc3F)C2)[nH+]1 ZINC000257307670 203033052 /nfs/dbraw/zinc/03/30/52/203033052.db2.gz SZTHSSLLQWEVSI-CQSZACIVSA-N 2 2 303.381 3.116 40 0 DGABLP c1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](CC2CC2)C3)cs1 ZINC000096049472 431934897 /nfs/dbraw/zinc/93/48/97/431934897.db2.gz QMVFBUGYJAMRGZ-SFHVURJKSA-N 2 2 320.502 3.073 40 0 DGABLP c1cc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](CC2CC2)C3)cs1 ZINC000096049472 431934898 /nfs/dbraw/zinc/93/48/98/431934898.db2.gz QMVFBUGYJAMRGZ-SFHVURJKSA-N 2 2 320.502 3.073 40 0 DGABLP c1cc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](CC2CC2)C3)cs1 ZINC000096049472 431934900 /nfs/dbraw/zinc/93/49/00/431934900.db2.gz QMVFBUGYJAMRGZ-SFHVURJKSA-N 2 2 320.502 3.073 40 0 DGABLP c1cc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](CC2CC2)C3)cs1 ZINC000096049472 431934901 /nfs/dbraw/zinc/93/49/01/431934901.db2.gz QMVFBUGYJAMRGZ-SFHVURJKSA-N 2 2 320.502 3.073 40 0 DGABLP c1csc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2cccc[nH+]2)C3)n1 ZINC000096216639 431942195 /nfs/dbraw/zinc/94/21/95/431942195.db2.gz BJQNRZJQQPUICT-QGZVFWFLSA-N 2 2 314.458 3.031 40 0 DGABLP c1csc(C[N@H+]2CC[C@@]3(C2)CCCN(c2cccc[nH+]2)C3)n1 ZINC000096216639 431942198 /nfs/dbraw/zinc/94/21/98/431942198.db2.gz BJQNRZJQQPUICT-QGZVFWFLSA-N 2 2 314.458 3.031 40 0 DGABLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000096228732 431943016 /nfs/dbraw/zinc/94/30/16/431943016.db2.gz UYXGDFDULSEZRR-IBGZPJMESA-N 2 2 320.452 3.149 40 0 DGABLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000096228732 431943018 /nfs/dbraw/zinc/94/30/18/431943018.db2.gz UYXGDFDULSEZRR-IBGZPJMESA-N 2 2 320.452 3.149 40 0 DGABLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000096228732 431943019 /nfs/dbraw/zinc/94/30/19/431943019.db2.gz UYXGDFDULSEZRR-IBGZPJMESA-N 2 2 320.452 3.149 40 0 DGABLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000096228732 431943022 /nfs/dbraw/zinc/94/30/22/431943022.db2.gz UYXGDFDULSEZRR-IBGZPJMESA-N 2 2 320.452 3.149 40 0 DGABLP Cc1nc(C[N@H+]2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)cs1 ZINC000257254958 432423107 /nfs/dbraw/zinc/42/31/07/432423107.db2.gz KFMOHDQZSNKOMM-HNNXBMFYSA-N 2 2 316.474 3.292 40 0 DGABLP Cc1nc(C[N@@H+]2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)cs1 ZINC000257254958 432423109 /nfs/dbraw/zinc/42/31/09/432423109.db2.gz KFMOHDQZSNKOMM-HNNXBMFYSA-N 2 2 316.474 3.292 40 0 DGABLP Cn1cc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2[NH3+])c2ccccc21 ZINC000072395128 191149353 /nfs/dbraw/zinc/14/93/53/191149353.db2.gz ZPTOMVIDYQTYBC-MOPGFXCFSA-N 2 2 305.425 3.105 40 0 DGABLP Cn1cc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2[NH3+])c2ccccc21 ZINC000072395128 191149355 /nfs/dbraw/zinc/14/93/55/191149355.db2.gz ZPTOMVIDYQTYBC-MOPGFXCFSA-N 2 2 305.425 3.105 40 0 DGABLP Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)s1 ZINC000107731374 432039533 /nfs/dbraw/zinc/03/95/33/432039533.db2.gz VVCOFBDMQNUGCT-NVXWUHKLSA-N 2 2 317.458 3.249 40 0 DGABLP Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)s1 ZINC000107731374 432039537 /nfs/dbraw/zinc/03/95/37/432039537.db2.gz VVCOFBDMQNUGCT-NVXWUHKLSA-N 2 2 317.458 3.249 40 0 DGABLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)cc(OC)c1 ZINC000257312737 203036848 /nfs/dbraw/zinc/03/68/48/203036848.db2.gz UPIBETMQFQCLHB-OAHLLOKOSA-N 2 2 315.417 3.115 40 0 DGABLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)cc(OC)c1 ZINC000257312737 203036852 /nfs/dbraw/zinc/03/68/52/203036852.db2.gz UPIBETMQFQCLHB-OAHLLOKOSA-N 2 2 315.417 3.115 40 0 DGABLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH+]c(C)cn3C)C2)ccc1F ZINC000257342113 203065931 /nfs/dbraw/zinc/06/59/31/203065931.db2.gz ZNDHMWHZNDKFOD-HNNXBMFYSA-N 2 2 317.408 3.256 40 0 DGABLP COc1cc(C[N@H+]2CCC[C@H](c3[nH+]c(C)cn3C)C2)ccc1F ZINC000257342113 203065934 /nfs/dbraw/zinc/06/59/34/203065934.db2.gz ZNDHMWHZNDKFOD-HNNXBMFYSA-N 2 2 317.408 3.256 40 0 DGABLP CNc1cc(CC2CC[NH+](CCc3ccccc3)CC2)[nH+]c(C)n1 ZINC000019758867 182144309 /nfs/dbraw/zinc/14/43/09/182144309.db2.gz OYVPIFKGJGSXGN-UHFFFAOYSA-N 2 2 324.472 3.324 40 0 DGABLP CC(=[NH2+])c1nnc2c(-c3ccccc3)c(C)nn2c1/C=C/[NH+](C)C ZINC000095115705 431922168 /nfs/dbraw/zinc/92/21/68/431922168.db2.gz VDGNZLXRRZVGRQ-UJFUTIARSA-N 2 2 320.400 3.020 40 0 DGABLP Fc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](n4cc[nH+]c4)CO3)C2)cc1 ZINC000096048559 431935623 /nfs/dbraw/zinc/93/56/23/431935623.db2.gz XFUMQKSJHUFULB-ZWKOTPCHSA-N 2 2 315.392 3.018 40 0 DGABLP Fc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](n4cc[nH+]c4)CO3)C2)cc1 ZINC000096048559 431935626 /nfs/dbraw/zinc/93/56/26/431935626.db2.gz XFUMQKSJHUFULB-ZWKOTPCHSA-N 2 2 315.392 3.018 40 0 DGABLP c1cc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](CC2CC2)C3)cs1 ZINC000096049471 431935940 /nfs/dbraw/zinc/93/59/40/431935940.db2.gz QMVFBUGYJAMRGZ-GOSISDBHSA-N 2 2 320.502 3.073 40 0 DGABLP c1cc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](CC2CC2)C3)cs1 ZINC000096049471 431935943 /nfs/dbraw/zinc/93/59/43/431935943.db2.gz QMVFBUGYJAMRGZ-GOSISDBHSA-N 2 2 320.502 3.073 40 0 DGABLP c1cc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](CC2CC2)C3)cs1 ZINC000096049471 431935944 /nfs/dbraw/zinc/93/59/44/431935944.db2.gz QMVFBUGYJAMRGZ-GOSISDBHSA-N 2 2 320.502 3.073 40 0 DGABLP c1cc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](CC2CC2)C3)cs1 ZINC000096049471 431935946 /nfs/dbraw/zinc/93/59/46/431935946.db2.gz QMVFBUGYJAMRGZ-GOSISDBHSA-N 2 2 320.502 3.073 40 0 DGABLP c1cn(-c2cncc(C3CC[NH+](C4CCCCC4)CC3)n2)c[nH+]1 ZINC000072355523 191130679 /nfs/dbraw/zinc/13/06/79/191130679.db2.gz VGXXBYZMCXVTND-UHFFFAOYSA-N 2 2 311.433 3.174 40 0 DGABLP Cc1cc(NC2CC3(C2)CC[N@H+](Cc2ccsc2)C3)nc[nH+]1 ZINC000257300360 203026018 /nfs/dbraw/zinc/02/60/18/203026018.db2.gz RTYXIQALUZXSQW-UHFFFAOYSA-N 2 2 314.458 3.313 40 0 DGABLP Cc1cc(NC2CC3(C2)CC[N@@H+](Cc2ccsc2)C3)nc[nH+]1 ZINC000257300360 203026022 /nfs/dbraw/zinc/02/60/22/203026022.db2.gz RTYXIQALUZXSQW-UHFFFAOYSA-N 2 2 314.458 3.313 40 0 DGABLP CNc1cc([C@H]2CCC[N@H+](Cc3ccnn3C(C)C)C2)cc[nH+]1 ZINC000257329114 203052154 /nfs/dbraw/zinc/05/21/54/203052154.db2.gz XINMLWWGURRGPB-INIZCTEOSA-N 2 2 313.449 3.280 40 0 DGABLP CNc1cc([C@H]2CCC[N@@H+](Cc3ccnn3C(C)C)C2)cc[nH+]1 ZINC000257329114 203052157 /nfs/dbraw/zinc/05/21/57/203052157.db2.gz XINMLWWGURRGPB-INIZCTEOSA-N 2 2 313.449 3.280 40 0 DGABLP CNc1cc([C@@H]2CCC[N@H+](Cc3scnc3C)C2)cc[nH+]1 ZINC000257335037 432424456 /nfs/dbraw/zinc/42/44/56/432424456.db2.gz YIKYHRCMSUDHNF-CQSZACIVSA-N 2 2 302.447 3.268 40 0 DGABLP CNc1cc([C@@H]2CCC[N@@H+](Cc3scnc3C)C2)cc[nH+]1 ZINC000257335037 432424462 /nfs/dbraw/zinc/42/44/62/432424462.db2.gz YIKYHRCMSUDHNF-CQSZACIVSA-N 2 2 302.447 3.268 40 0 DGABLP c1coc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccccc5)c[nH+]c4C[C@@H]3C2)c1 ZINC000306125081 231084053 /nfs/dbraw/zinc/08/40/53/231084053.db2.gz CGJWHTIQXRFTRA-IAGOWNOFSA-N 2 2 319.408 3.447 40 0 DGABLP c1coc(C[N@H+]2C[C@@H]3Cn4c(-c5ccccc5)c[nH+]c4C[C@@H]3C2)c1 ZINC000306125081 231084056 /nfs/dbraw/zinc/08/40/56/231084056.db2.gz CGJWHTIQXRFTRA-IAGOWNOFSA-N 2 2 319.408 3.447 40 0 DGABLP c1cn(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000072350481 191127902 /nfs/dbraw/zinc/12/79/02/191127902.db2.gz MRHFAKLTJFBQAJ-QGZVFWFLSA-N 2 2 319.412 3.042 40 0 DGABLP c1cn(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000072350481 191127905 /nfs/dbraw/zinc/12/79/05/191127905.db2.gz MRHFAKLTJFBQAJ-QGZVFWFLSA-N 2 2 319.412 3.042 40 0 DGABLP Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)s1 ZINC000096048556 431934809 /nfs/dbraw/zinc/93/48/09/431934809.db2.gz VVCOFBDMQNUGCT-RDJZCZTQSA-N 2 2 317.458 3.249 40 0 DGABLP Cc1ccc(C[N@H+]2CCC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)s1 ZINC000096048556 431934811 /nfs/dbraw/zinc/93/48/11/431934811.db2.gz VVCOFBDMQNUGCT-RDJZCZTQSA-N 2 2 317.458 3.249 40 0 DGABLP Fc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccsc4)C[C@H]3C2)c1 ZINC000096053857 431936558 /nfs/dbraw/zinc/93/65/58/431936558.db2.gz HOBCYVPQUSKGDG-IAGOWNOFSA-N 2 2 316.445 3.451 40 0 DGABLP Cc1[nH+]cc(-c2cc([C@H]3CCC[N@@H+](C(C)C)C3)nc(C)n2)n1C ZINC000257205928 432419138 /nfs/dbraw/zinc/41/91/38/432419138.db2.gz BBCIDNGCUJANCV-HNNXBMFYSA-N 2 2 313.449 3.082 40 0 DGABLP Cc1[nH+]cc(-c2cc([C@H]3CCC[N@H+](C(C)C)C3)nc(C)n2)n1C ZINC000257205928 432419141 /nfs/dbraw/zinc/41/91/41/432419141.db2.gz BBCIDNGCUJANCV-HNNXBMFYSA-N 2 2 313.449 3.082 40 0 DGABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2c2cc[nH+]c(C)n2)n1 ZINC000072355616 191130928 /nfs/dbraw/zinc/13/09/28/191130928.db2.gz IIYGJJYWVJWXQU-MRXNPFEDSA-N 2 2 320.400 3.016 40 0 DGABLP c1cc(C[NH+]2CCC3(CCC[N@H+]3Cc3cccnc3)CC2)co1 ZINC000096049311 431935640 /nfs/dbraw/zinc/93/56/40/431935640.db2.gz CMHDTXIVUQVGST-UHFFFAOYSA-N 2 2 311.429 3.305 40 0 DGABLP c1cc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)co1 ZINC000096049311 431935641 /nfs/dbraw/zinc/93/56/41/431935641.db2.gz CMHDTXIVUQVGST-UHFFFAOYSA-N 2 2 311.429 3.305 40 0 DGABLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)ccc1F ZINC000257213731 432419303 /nfs/dbraw/zinc/41/93/03/432419303.db2.gz CIWOYYKIEIKQNS-AWEZNQCLSA-N 2 2 303.381 3.245 40 0 DGABLP COc1cc(C[N@H+]2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)ccc1F ZINC000257213731 432419305 /nfs/dbraw/zinc/41/93/05/432419305.db2.gz CIWOYYKIEIKQNS-AWEZNQCLSA-N 2 2 303.381 3.245 40 0 DGABLP c1[nH+]c2n(c1-c1cccnc1)CC1(CC2)CC[NH+](CC2CC2)CC1 ZINC000306138924 534537482 /nfs/dbraw/zinc/53/74/82/534537482.db2.gz SKWHIKPBEBRMTG-UHFFFAOYSA-N 2 2 322.456 3.384 40 0 DGABLP c1cn(-c2cccc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c[nH+]1 ZINC000072378633 191141541 /nfs/dbraw/zinc/14/15/41/191141541.db2.gz DSYPPXSQVCIRTA-KRWDZBQOSA-N 2 2 319.412 3.042 40 0 DGABLP c1cn(-c2cccc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c[nH+]1 ZINC000072378633 191141542 /nfs/dbraw/zinc/14/15/42/191141542.db2.gz DSYPPXSQVCIRTA-KRWDZBQOSA-N 2 2 319.412 3.042 40 0 DGABLP Cc1c[nH]c([C@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)[nH+]1 ZINC000257319788 203042568 /nfs/dbraw/zinc/04/25/68/203042568.db2.gz VUAQQADBRUPQAI-AWEZNQCLSA-N 2 2 303.381 3.116 40 0 DGABLP Cc1c[nH]c([C@H]2CCC[N@@H+](CCOc3ccc(F)cc3)C2)[nH+]1 ZINC000257319788 203042571 /nfs/dbraw/zinc/04/25/71/203042571.db2.gz VUAQQADBRUPQAI-AWEZNQCLSA-N 2 2 303.381 3.116 40 0 DGABLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)s1 ZINC000096053794 431936718 /nfs/dbraw/zinc/93/67/18/431936718.db2.gz VIGHMSDUAOAPSU-IYBDPMFKSA-N 2 2 313.470 3.015 40 0 DGABLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)s1 ZINC000096053794 431936720 /nfs/dbraw/zinc/93/67/20/431936720.db2.gz VIGHMSDUAOAPSU-IYBDPMFKSA-N 2 2 313.470 3.015 40 0 DGABLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)s1 ZINC000096053794 431936721 /nfs/dbraw/zinc/93/67/21/431936721.db2.gz VIGHMSDUAOAPSU-IYBDPMFKSA-N 2 2 313.470 3.015 40 0 DGABLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)s1 ZINC000096053794 431936724 /nfs/dbraw/zinc/93/67/24/431936724.db2.gz VIGHMSDUAOAPSU-IYBDPMFKSA-N 2 2 313.470 3.015 40 0 DGABLP CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072355533 191130423 /nfs/dbraw/zinc/13/04/23/191130423.db2.gz MSHQVZGRKMRHIR-HNNXBMFYSA-N 2 2 313.449 3.374 40 0 DGABLP CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072355533 191130425 /nfs/dbraw/zinc/13/04/25/191130425.db2.gz MSHQVZGRKMRHIR-HNNXBMFYSA-N 2 2 313.449 3.374 40 0 DGABLP COc1cccc(F)c1C[N@@H+]1CCC[C@@H](c2[nH+]c(C)cn2C)C1 ZINC000257332443 203055341 /nfs/dbraw/zinc/05/53/41/203055341.db2.gz XXIZYSVQBVJKLD-CQSZACIVSA-N 2 2 317.408 3.256 40 0 DGABLP COc1cccc(F)c1C[N@H+]1CCC[C@@H](c2[nH+]c(C)cn2C)C1 ZINC000257332443 203055345 /nfs/dbraw/zinc/05/53/45/203055345.db2.gz XXIZYSVQBVJKLD-CQSZACIVSA-N 2 2 317.408 3.256 40 0 DGABLP c1cncc(C[N@@H+]2CCCC23CC[NH+](Cc2cccnc2)CC3)c1 ZINC000096049319 431935243 /nfs/dbraw/zinc/93/52/43/431935243.db2.gz FCMSHBOTBYKYRO-UHFFFAOYSA-N 2 2 322.456 3.107 40 0 DGABLP c1cncc(C[N@H+]2CCCC23CC[NH+](Cc2cccnc2)CC3)c1 ZINC000096049319 431935245 /nfs/dbraw/zinc/93/52/45/431935245.db2.gz FCMSHBOTBYKYRO-UHFFFAOYSA-N 2 2 322.456 3.107 40 0 DGABLP Fc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC000096053849 431936748 /nfs/dbraw/zinc/93/67/48/431936748.db2.gz XTCYPGILFWGFKQ-IYBDPMFKSA-N 2 2 316.445 3.451 40 0 DGABLP Fc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC000096053849 431936749 /nfs/dbraw/zinc/93/67/49/431936749.db2.gz XTCYPGILFWGFKQ-IYBDPMFKSA-N 2 2 316.445 3.451 40 0 DGABLP Fc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC000096053849 431936752 /nfs/dbraw/zinc/93/67/52/431936752.db2.gz XTCYPGILFWGFKQ-IYBDPMFKSA-N 2 2 316.445 3.451 40 0 DGABLP Fc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC000096053849 431936753 /nfs/dbraw/zinc/93/67/53/431936753.db2.gz XTCYPGILFWGFKQ-IYBDPMFKSA-N 2 2 316.445 3.451 40 0 DGABLP CCOC[C@H]1CCC2(CC[NH+](Cc3ccc(C)o3)CC2)[N@@H+]1C ZINC000096209496 431942564 /nfs/dbraw/zinc/94/25/64/431942564.db2.gz BYZNTICMTORODL-MRXNPFEDSA-N 2 2 306.450 3.053 40 0 DGABLP CCOC[C@H]1CCC2(CC[NH+](Cc3ccc(C)o3)CC2)[N@H+]1C ZINC000096209496 431942566 /nfs/dbraw/zinc/94/25/66/431942566.db2.gz BYZNTICMTORODL-MRXNPFEDSA-N 2 2 306.450 3.053 40 0 DGABLP Cc1c[nH]c([C@H]2CCC[N@H+](CC3=Cc4ccccc4OC3)C2)[nH+]1 ZINC000257266503 432424126 /nfs/dbraw/zinc/42/41/26/432424126.db2.gz MDGXYTRXXPOOIO-KRWDZBQOSA-N 2 2 309.413 3.374 40 0 DGABLP Cc1c[nH]c([C@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)[nH+]1 ZINC000257266503 432424130 /nfs/dbraw/zinc/42/41/30/432424130.db2.gz MDGXYTRXXPOOIO-KRWDZBQOSA-N 2 2 309.413 3.374 40 0 DGABLP Cc1ccsc1C[N@H+]1CCC[C@@H]1c1nccc(C[NH+](C)C)n1 ZINC000257291498 432425476 /nfs/dbraw/zinc/42/54/76/432425476.db2.gz QHFHRSDHZKMPNY-OAHLLOKOSA-N 2 2 316.474 3.245 40 0 DGABLP Cc1ccsc1C[N@@H+]1CCC[C@@H]1c1nccc(C[NH+](C)C)n1 ZINC000257291498 432425480 /nfs/dbraw/zinc/42/54/80/432425480.db2.gz QHFHRSDHZKMPNY-OAHLLOKOSA-N 2 2 316.474 3.245 40 0 DGABLP CCn1cc(-c2c[nH+]cn2CCCn2cc[nH+]c2C(C)C)cn1 ZINC000072399282 191148865 /nfs/dbraw/zinc/14/88/65/191148865.db2.gz RNOPLKMJGWYSHH-UHFFFAOYSA-N 2 2 312.421 3.177 40 0 DGABLP Cc1ccsc1C[N@H+]1CCC[C@H]1c1nccc(C[NH+](C)C)n1 ZINC000257291497 203018043 /nfs/dbraw/zinc/01/80/43/203018043.db2.gz QHFHRSDHZKMPNY-HNNXBMFYSA-N 2 2 316.474 3.245 40 0 DGABLP Cc1ccsc1C[N@@H+]1CCC[C@H]1c1nccc(C[NH+](C)C)n1 ZINC000257291497 203018045 /nfs/dbraw/zinc/01/80/45/203018045.db2.gz QHFHRSDHZKMPNY-HNNXBMFYSA-N 2 2 316.474 3.245 40 0 DGABLP Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019712056 400186706 /nfs/dbraw/zinc/18/67/06/400186706.db2.gz YDSCAVMMUVQROA-ZWKOTPCHSA-N 2 2 304.482 3.187 40 0 DGABLP Cc1nn(C(C)C)c(C)c1C[N@H+]1CC[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019712056 400186708 /nfs/dbraw/zinc/18/67/08/400186708.db2.gz YDSCAVMMUVQROA-ZWKOTPCHSA-N 2 2 304.482 3.187 40 0 DGABLP c1cc(C[N@H+]2C[C@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)co1 ZINC000306133950 275064587 /nfs/dbraw/zinc/06/45/87/275064587.db2.gz NAFLIOPQGUPNNO-MSOLQXFVSA-N 2 2 319.408 3.447 40 0 DGABLP c1cc(C[N@@H+]2C[C@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)co1 ZINC000306133950 275064588 /nfs/dbraw/zinc/06/45/88/275064588.db2.gz NAFLIOPQGUPNNO-MSOLQXFVSA-N 2 2 319.408 3.447 40 0 DGABLP C[NH+](C)CCC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000008373918 431397189 /nfs/dbraw/zinc/39/71/89/431397189.db2.gz IXOMJJMEEHEEGE-UHFFFAOYSA-N 2 2 316.420 3.446 40 0 DGABLP Cc1nc(C[NH+]2CCC(CNc3cccc(C)[nH+]3)CC2)oc1C ZINC000127956254 431984787 /nfs/dbraw/zinc/98/47/87/431984787.db2.gz YLEXCQOAONUHME-UHFFFAOYSA-N 2 2 314.433 3.319 40 0 DGABLP Cc1nc(C[N@@H+](C)[C@H]2CCCN(c3cccc(C)[nH+]3)C2)cs1 ZINC000257246311 432423249 /nfs/dbraw/zinc/42/32/49/432423249.db2.gz ITOHBXGISWXQGS-INIZCTEOSA-N 2 2 316.474 3.256 40 0 DGABLP Cc1nc(C[N@H+](C)[C@H]2CCCN(c3cccc(C)[nH+]3)C2)cs1 ZINC000257246311 432423252 /nfs/dbraw/zinc/42/32/52/432423252.db2.gz ITOHBXGISWXQGS-INIZCTEOSA-N 2 2 316.474 3.256 40 0 DGABLP CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072355532 191130325 /nfs/dbraw/zinc/13/03/25/191130325.db2.gz MSHQVZGRKMRHIR-OAHLLOKOSA-N 2 2 313.449 3.374 40 0 DGABLP CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072355532 191130327 /nfs/dbraw/zinc/13/03/27/191130327.db2.gz MSHQVZGRKMRHIR-OAHLLOKOSA-N 2 2 313.449 3.374 40 0 DGABLP Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)s1 ZINC000107731377 432038852 /nfs/dbraw/zinc/03/88/52/432038852.db2.gz VVCOFBDMQNUGCT-WBVHZDCISA-N 2 2 317.458 3.249 40 0 DGABLP Cc1ccc(C[N@H+]2CCC[C@]3(C[C@@H](n4cc[nH+]c4)CO3)C2)s1 ZINC000107731377 432038856 /nfs/dbraw/zinc/03/88/56/432038856.db2.gz VVCOFBDMQNUGCT-WBVHZDCISA-N 2 2 317.458 3.249 40 0 DGABLP Cc1ccc(C[N@H+]2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)s1 ZINC000257336988 203057798 /nfs/dbraw/zinc/05/77/98/203057798.db2.gz YQXJQEMCDREPDO-MRXNPFEDSA-N 2 2 316.474 3.245 40 0 DGABLP Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)s1 ZINC000257336988 203057802 /nfs/dbraw/zinc/05/78/02/203057802.db2.gz YQXJQEMCDREPDO-MRXNPFEDSA-N 2 2 316.474 3.245 40 0 DGABLP Cc1ccc(Nc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)c(C)c1 ZINC000228934029 257214587 /nfs/dbraw/zinc/21/45/87/257214587.db2.gz HHUUCRMMVKZYBP-UHFFFAOYSA-N 2 2 322.416 3.111 40 0 DGABLP Fc1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH2+]CC2)cc1 ZINC000000002303 431111879 /nfs/dbraw/zinc/11/18/79/431111879.db2.gz SFOVDSLXFUGAIV-UHFFFAOYSA-N 2 2 324.403 3.388 40 0 investigational DGABLP Cc1c[nH]c([C@H]2CC[N@H+](Cc3ccccc3N3CCCC3)C2)[nH+]1 ZINC000257220431 432418483 /nfs/dbraw/zinc/41/84/83/432418483.db2.gz DKVCBFCYIGTKKN-KRWDZBQOSA-N 2 2 310.445 3.308 40 0 DGABLP Cc1c[nH]c([C@H]2CC[N@@H+](Cc3ccccc3N3CCCC3)C2)[nH+]1 ZINC000257220431 432418485 /nfs/dbraw/zinc/41/84/85/432418485.db2.gz DKVCBFCYIGTKKN-KRWDZBQOSA-N 2 2 310.445 3.308 40 0 DGABLP Cc1c[nH]c([C@H]2CC[N@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH+]1 ZINC000257206640 432418908 /nfs/dbraw/zinc/41/89/08/432418908.db2.gz BEIVUIUTKDVQRA-KRWDZBQOSA-N 2 2 319.412 3.165 40 0 DGABLP Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)nc3)C2)[nH+]1 ZINC000257206640 432418913 /nfs/dbraw/zinc/41/89/13/432418913.db2.gz BEIVUIUTKDVQRA-KRWDZBQOSA-N 2 2 319.412 3.165 40 0 DGABLP COc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1OC ZINC000093563922 193268045 /nfs/dbraw/zinc/26/80/45/193268045.db2.gz GMNJVVRMSPSEDT-QGZVFWFLSA-N 2 2 318.461 3.154 40 0 DGABLP COc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1OC ZINC000093563922 193268047 /nfs/dbraw/zinc/26/80/47/193268047.db2.gz GMNJVVRMSPSEDT-QGZVFWFLSA-N 2 2 318.461 3.154 40 0 DGABLP Cc1cccc(Nc2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)c1C ZINC000228920620 257214535 /nfs/dbraw/zinc/21/45/35/257214535.db2.gz BTVMTFCZNWYVDE-UHFFFAOYSA-N 2 2 322.416 3.111 40 0 DGABLP Cc1ccsc1C[N@@H+](CCC[NH+](C)C)Cc1ccccn1 ZINC000013990741 431571759 /nfs/dbraw/zinc/57/17/59/431571759.db2.gz SIZFDVHSIMYDCX-UHFFFAOYSA-N 2 2 303.475 3.405 40 0 DGABLP Cc1ccsc1C[N@H+](CCC[NH+](C)C)Cc1ccccn1 ZINC000013990741 431571766 /nfs/dbraw/zinc/57/17/66/431571766.db2.gz SIZFDVHSIMYDCX-UHFFFAOYSA-N 2 2 303.475 3.405 40 0 DGABLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000096228733 431943074 /nfs/dbraw/zinc/94/30/74/431943074.db2.gz UYXGDFDULSEZRR-LJQANCHMSA-N 2 2 320.452 3.149 40 0 DGABLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000096228733 431943076 /nfs/dbraw/zinc/94/30/76/431943076.db2.gz UYXGDFDULSEZRR-LJQANCHMSA-N 2 2 320.452 3.149 40 0 DGABLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000096228733 431943077 /nfs/dbraw/zinc/94/30/77/431943077.db2.gz UYXGDFDULSEZRR-LJQANCHMSA-N 2 2 320.452 3.149 40 0 DGABLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000096228733 431943080 /nfs/dbraw/zinc/94/30/80/431943080.db2.gz UYXGDFDULSEZRR-LJQANCHMSA-N 2 2 320.452 3.149 40 0 DGABLP Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3c(C)nc4sccn34)C2)[nH+]1 ZINC000257260311 432424721 /nfs/dbraw/zinc/42/47/21/432424721.db2.gz LCHDOCNWINRCCQ-CYBMUJFWSA-N 2 2 315.446 3.115 40 0 DGABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3c(C)nc4sccn34)C2)[nH+]1 ZINC000257260311 432424725 /nfs/dbraw/zinc/42/47/25/432424725.db2.gz LCHDOCNWINRCCQ-CYBMUJFWSA-N 2 2 315.446 3.115 40 0 DGABLP Cc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](CC4CC4)C[C@H]2C3)cc1 ZINC000306140226 534196686 /nfs/dbraw/zinc/19/66/86/534196686.db2.gz UNIZCVOBSDJNGN-QZTJIDSGSA-N 2 2 307.441 3.373 40 0 DGABLP Cc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@H+](CC4CC4)C[C@H]2C3)cc1 ZINC000306140226 534196689 /nfs/dbraw/zinc/19/66/89/534196689.db2.gz UNIZCVOBSDJNGN-QZTJIDSGSA-N 2 2 307.441 3.373 40 0 DGABLP O=C(c1ccccc1)C(C[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000001671259 431234991 /nfs/dbraw/zinc/23/49/91/431234991.db2.gz CQDHXQRPRMXIBF-UHFFFAOYSA-N 2 2 314.473 3.457 40 0 DGABLP Cc1ccc(C[N@@H+](CCC[NH+](C)C)Cc2ccccn2)s1 ZINC000013990744 431574006 /nfs/dbraw/zinc/57/40/06/431574006.db2.gz XXYDATRNCFOQEB-UHFFFAOYSA-N 2 2 303.475 3.405 40 0 DGABLP Cc1ccc(C[N@H+](CCC[NH+](C)C)Cc2ccccn2)s1 ZINC000013990744 431574010 /nfs/dbraw/zinc/57/40/10/431574010.db2.gz XXYDATRNCFOQEB-UHFFFAOYSA-N 2 2 303.475 3.405 40 0 DGABLP CC[NH+](CC)Cc1cncc2c1CC[N@H+](Cc1cccc(C)n1)C2 ZINC000096067399 431937073 /nfs/dbraw/zinc/93/70/73/431937073.db2.gz NILMAEKPHQFKIR-UHFFFAOYSA-N 2 2 324.472 3.185 40 0 DGABLP CC[NH+](CC)Cc1cncc2c1CC[N@@H+](Cc1cccc(C)n1)C2 ZINC000096067399 431937074 /nfs/dbraw/zinc/93/70/74/431937074.db2.gz NILMAEKPHQFKIR-UHFFFAOYSA-N 2 2 324.472 3.185 40 0 DGABLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](Cc1cccs1)CC2 ZINC000096255931 431943775 /nfs/dbraw/zinc/94/37/75/431943775.db2.gz XKAVMJVXIPHSQV-UHFFFAOYSA-N 2 2 318.490 3.145 40 0 DGABLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](Cc1cccs1)CC2 ZINC000096255931 431943777 /nfs/dbraw/zinc/94/37/77/431943777.db2.gz XKAVMJVXIPHSQV-UHFFFAOYSA-N 2 2 318.490 3.145 40 0 DGABLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CC2)OCC[NH+]3CC2CC2)s1 ZINC000248052809 432264135 /nfs/dbraw/zinc/26/41/35/432264135.db2.gz BIMIPXCXRUOKAD-MSOLQXFVSA-N 2 2 320.502 3.132 40 0 DGABLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC2)OCC[NH+]3CC2CC2)s1 ZINC000248052809 432264138 /nfs/dbraw/zinc/26/41/38/432264138.db2.gz BIMIPXCXRUOKAD-MSOLQXFVSA-N 2 2 320.502 3.132 40 0 DGABLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CC2)OCC[N@@H+]3CC2CC2)s1 ZINC000248052809 432264140 /nfs/dbraw/zinc/26/41/40/432264140.db2.gz BIMIPXCXRUOKAD-MSOLQXFVSA-N 2 2 320.502 3.132 40 0 DGABLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CC2)OCC[N@H+]3CC2CC2)s1 ZINC000248052809 432264142 /nfs/dbraw/zinc/26/41/42/432264142.db2.gz BIMIPXCXRUOKAD-MSOLQXFVSA-N 2 2 320.502 3.132 40 0 DGABLP Cc1nn(C)cc1-c1c[nH+]cn1[C@@H](CC[NH+](C)C)c1ccccc1 ZINC000019719506 518193740 /nfs/dbraw/zinc/19/37/40/518193740.db2.gz XUJJFLCJYCEQEV-SFHVURJKSA-N 2 2 323.444 3.133 40 0 DGABLP c1coc(C[N@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306125082 231083728 /nfs/dbraw/zinc/08/37/28/231083728.db2.gz CGJWHTIQXRFTRA-IRXDYDNUSA-N 2 2 319.408 3.447 40 0 DGABLP c1coc(C[N@@H+]2C[C@@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306125082 231083732 /nfs/dbraw/zinc/08/37/32/231083732.db2.gz CGJWHTIQXRFTRA-IRXDYDNUSA-N 2 2 319.408 3.447 40 0 DGABLP c1cn(-c2nccnc2[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c[nH+]1 ZINC000072350475 191128084 /nfs/dbraw/zinc/12/80/84/191128084.db2.gz ZJAUAOZWWIGJQU-OAHLLOKOSA-N 2 2 311.433 3.174 40 0 DGABLP c1cn(-c2nccnc2[C@@H]2CCC[N@H+](C3CCCCC3)C2)c[nH+]1 ZINC000072350475 191128087 /nfs/dbraw/zinc/12/80/87/191128087.db2.gz ZJAUAOZWWIGJQU-OAHLLOKOSA-N 2 2 311.433 3.174 40 0 DGABLP Cc1c[nH]c([C@H]2CC[N@H+](Cc3c[nH]nc3-c3cccs3)C2)[nH+]1 ZINC000257268303 432424933 /nfs/dbraw/zinc/42/49/33/432424933.db2.gz MLBGQCPNPWDLFH-LBPRGKRZSA-N 2 2 313.430 3.159 40 0 DGABLP Cc1c[nH]c([C@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccs3)C2)[nH+]1 ZINC000257268303 432424938 /nfs/dbraw/zinc/42/49/38/432424938.db2.gz MLBGQCPNPWDLFH-LBPRGKRZSA-N 2 2 313.430 3.159 40 0 DGABLP Cc1c[nH]c([C@H]2CCC[N@H+](Cc3c(C)nc4sccn34)C2)[nH+]1 ZINC000257260312 432425270 /nfs/dbraw/zinc/42/52/70/432425270.db2.gz LCHDOCNWINRCCQ-ZDUSSCGKSA-N 2 2 315.446 3.115 40 0 DGABLP Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3c(C)nc4sccn34)C2)[nH+]1 ZINC000257260312 432425273 /nfs/dbraw/zinc/42/52/73/432425273.db2.gz LCHDOCNWINRCCQ-ZDUSSCGKSA-N 2 2 315.446 3.115 40 0 DGABLP c1ccc(COc2cccc(C[NH2+]CC[NH+]3CCCC3)c2)cc1 ZINC000060844459 1195159940 /nfs/dbraw/zinc/15/99/40/1195159940.db2.gz OHJSJHMCGQLPEK-UHFFFAOYSA-N 2 2 310.441 3.451 40 0 DGABLP CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cc[nH+]cc1 ZINC000225585102 186280608 /nfs/dbraw/zinc/28/06/08/186280608.db2.gz BNKXBYOHYIKAKJ-OAHLLOKOSA-N 2 2 306.479 3.023 40 0 DGABLP CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1cc[nH+]cc1 ZINC000225585102 186280610 /nfs/dbraw/zinc/28/06/10/186280610.db2.gz BNKXBYOHYIKAKJ-OAHLLOKOSA-N 2 2 306.479 3.023 40 0 DGABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072378663 191141310 /nfs/dbraw/zinc/14/13/10/191141310.db2.gz XOBIANGRWQIJEI-GOSISDBHSA-N 2 2 319.412 3.308 40 0 DGABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072378663 191141313 /nfs/dbraw/zinc/14/13/13/191141313.db2.gz XOBIANGRWQIJEI-GOSISDBHSA-N 2 2 319.412 3.308 40 0 DGABLP Cc1cccc(C[NH+]2CCC(c3cccc4[nH+]ccn43)CC2)n1 ZINC000257290306 203014674 /nfs/dbraw/zinc/01/46/74/203014674.db2.gz QCIOBPCQDDLUSA-UHFFFAOYSA-N 2 2 306.413 3.417 40 0 DGABLP C[NH+](C)Cc1cccc(-c2ccc(NC[C@@H]3CCCO3)[nH+]c2)c1 ZINC000629707664 401052110 /nfs/dbraw/zinc/05/21/10/401052110.db2.gz WELPGARTLTZGTB-SFHVURJKSA-N 2 2 311.429 3.401 40 0 DGABLP COc1ccccc1-c1c[nH+]c2n1C[C@]1(CC[N@@H+](C3CCC3)C1)C2 ZINC000306125151 274155705 /nfs/dbraw/zinc/15/57/05/274155705.db2.gz CIBVZMRVZZADBF-HXUWFJFHSA-N 2 2 323.440 3.359 40 0 DGABLP COc1ccccc1-c1c[nH+]c2n1C[C@]1(CC[N@H+](C3CCC3)C1)C2 ZINC000306125151 274155706 /nfs/dbraw/zinc/15/57/06/274155706.db2.gz CIBVZMRVZZADBF-HXUWFJFHSA-N 2 2 323.440 3.359 40 0 DGABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072378662 431335318 /nfs/dbraw/zinc/33/53/18/431335318.db2.gz XOBIANGRWQIJEI-SFHVURJKSA-N 2 2 319.412 3.308 40 0 DGABLP FC1(F)CC[N@H+](CC2CC2)C[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000096051160 431935016 /nfs/dbraw/zinc/93/50/16/431935016.db2.gz VAZGDLVZDDLUSM-MRXNPFEDSA-N 2 2 307.388 3.029 40 0 DGABLP FC1(F)CC[N@@H+](CC2CC2)C[C@@]12CCN(c1cccc[nH+]1)C2 ZINC000096051160 431935017 /nfs/dbraw/zinc/93/50/17/431935017.db2.gz VAZGDLVZDDLUSM-MRXNPFEDSA-N 2 2 307.388 3.029 40 0 DGABLP Cc1[nH+]cc(-c2ccc(C[C@H]3CCC[N@@H+](C(C)C)C3)cn2)n1C ZINC000257208865 432418258 /nfs/dbraw/zinc/41/82/58/432418258.db2.gz BNVXCGBKYCPMJI-QGZVFWFLSA-N 2 2 312.461 3.453 40 0 DGABLP Cc1[nH+]cc(-c2ccc(C[C@H]3CCC[N@H+](C(C)C)C3)cn2)n1C ZINC000257208865 432418260 /nfs/dbraw/zinc/41/82/60/432418260.db2.gz BNVXCGBKYCPMJI-QGZVFWFLSA-N 2 2 312.461 3.453 40 0 DGABLP c1cc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccccc5)c[nH+]c4C[C@@H]3C2)co1 ZINC000306133951 434087108 /nfs/dbraw/zinc/08/71/08/434087108.db2.gz NAFLIOPQGUPNNO-QZTJIDSGSA-N 2 2 319.408 3.447 40 0 DGABLP c1cc(C[N@H+]2C[C@@H]3Cn4c(-c5ccccc5)c[nH+]c4C[C@@H]3C2)co1 ZINC000306133951 434087119 /nfs/dbraw/zinc/08/71/19/434087119.db2.gz NAFLIOPQGUPNNO-QZTJIDSGSA-N 2 2 319.408 3.447 40 0 DGABLP c1cn(-c2cncc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)c[nH+]1 ZINC000072355450 191129018 /nfs/dbraw/zinc/12/90/18/191129018.db2.gz LTAMGFPDWZOEOS-KRWDZBQOSA-N 2 2 319.412 3.042 40 0 DGABLP c1cn(-c2cncc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c[nH+]1 ZINC000072355450 191129020 /nfs/dbraw/zinc/12/90/20/191129020.db2.gz LTAMGFPDWZOEOS-KRWDZBQOSA-N 2 2 319.412 3.042 40 0 DGABLP c1cn(-c2cccc(C3CC[NH+](Cc4ccccn4)CC3)n2)c[nH+]1 ZINC000072379059 191140969 /nfs/dbraw/zinc/14/09/69/191140969.db2.gz ITLAWZCEPFGECG-UHFFFAOYSA-N 2 2 319.412 3.042 40 0 DGABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000072378707 191141760 /nfs/dbraw/zinc/14/17/60/191141760.db2.gz PJYRQTVLCNXEEW-INIZCTEOSA-N 2 2 311.433 3.304 40 0 DGABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000072378707 191141762 /nfs/dbraw/zinc/14/17/62/191141762.db2.gz PJYRQTVLCNXEEW-INIZCTEOSA-N 2 2 311.433 3.304 40 0 DGABLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)cc(OC)c1 ZINC000257312736 203036247 /nfs/dbraw/zinc/03/62/47/203036247.db2.gz UPIBETMQFQCLHB-HNNXBMFYSA-N 2 2 315.417 3.115 40 0 DGABLP COc1cc(C[N@H+]2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)cc(OC)c1 ZINC000257312736 203036250 /nfs/dbraw/zinc/03/62/50/203036250.db2.gz UPIBETMQFQCLHB-HNNXBMFYSA-N 2 2 315.417 3.115 40 0 DGABLP c1coc(C[N@H+]2C[C@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306125083 275074904 /nfs/dbraw/zinc/07/49/04/275074904.db2.gz CGJWHTIQXRFTRA-SJORKVTESA-N 2 2 319.408 3.447 40 0 DGABLP c1coc(C[N@@H+]2C[C@H]3Cc4[nH+]cc(-c5ccccc5)n4C[C@@H]3C2)c1 ZINC000306125083 275074906 /nfs/dbraw/zinc/07/49/06/275074906.db2.gz CGJWHTIQXRFTRA-SJORKVTESA-N 2 2 319.408 3.447 40 0 DGABLP CC[NH+](CC)CC(C[NH+](CC)CC)OC(=O)Nc1ccccc1 ZINC000001667343 431234835 /nfs/dbraw/zinc/23/48/35/431234835.db2.gz GTJDSQPCRHWJGK-UHFFFAOYSA-N 2 2 321.465 3.287 40 0 DGABLP Cc1nc[nH]c1C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CC=CCC1 ZINC000036740227 431840571 /nfs/dbraw/zinc/84/05/71/431840571.db2.gz BRIUKQFBOKAZQA-QGZVFWFLSA-N 2 2 313.449 3.163 40 0 DGABLP Cc1nc[nH]c1C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CC=CCC1 ZINC000036740227 431840573 /nfs/dbraw/zinc/84/05/73/431840573.db2.gz BRIUKQFBOKAZQA-QGZVFWFLSA-N 2 2 313.449 3.163 40 0 DGABLP Cc1nc[nH]c1C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CC=CCC1 ZINC000036740226 431841101 /nfs/dbraw/zinc/84/11/01/431841101.db2.gz BRIUKQFBOKAZQA-KRWDZBQOSA-N 2 2 313.449 3.163 40 0 DGABLP Cc1nc[nH]c1C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CC=CCC1 ZINC000036740226 431841103 /nfs/dbraw/zinc/84/11/03/431841103.db2.gz BRIUKQFBOKAZQA-KRWDZBQOSA-N 2 2 313.449 3.163 40 0 DGABLP c1ccc(N[C@@H]2CCO[C@]3(CC[N@@H+](C4CCCC4)C3)C2)[nH+]c1 ZINC000096206488 431942314 /nfs/dbraw/zinc/94/23/14/431942314.db2.gz WOAQSLUXIDPQIJ-CRAIPNDOSA-N 2 2 301.434 3.060 40 0 DGABLP c1ccc(N[C@@H]2CCO[C@]3(CC[N@H+](C4CCCC4)C3)C2)[nH+]c1 ZINC000096206488 431942315 /nfs/dbraw/zinc/94/23/15/431942315.db2.gz WOAQSLUXIDPQIJ-CRAIPNDOSA-N 2 2 301.434 3.060 40 0 DGABLP Cc1ccc(C[N@@H+]2CC[C@H]3OCC[NH+](CC4CC4)[C@@H]3CC2)s1 ZINC000096249304 431943462 /nfs/dbraw/zinc/94/34/62/431943462.db2.gz BIMIPXCXRUOKAD-QZTJIDSGSA-N 2 2 320.502 3.132 40 0 DGABLP Cc1ccc(C[N@H+]2CC[C@H]3OCC[NH+](CC4CC4)[C@@H]3CC2)s1 ZINC000096249304 431943466 /nfs/dbraw/zinc/94/34/66/431943466.db2.gz BIMIPXCXRUOKAD-QZTJIDSGSA-N 2 2 320.502 3.132 40 0 DGABLP Cc1ccc(C[NH+]2CC[C@H]3OCC[N@H+](CC4CC4)[C@@H]3CC2)s1 ZINC000096249304 431943468 /nfs/dbraw/zinc/94/34/68/431943468.db2.gz BIMIPXCXRUOKAD-QZTJIDSGSA-N 2 2 320.502 3.132 40 0 DGABLP Cc1ccc(C[NH+]2CC[C@H]3OCC[N@@H+](CC4CC4)[C@@H]3CC2)s1 ZINC000096249304 431943470 /nfs/dbraw/zinc/94/34/70/431943470.db2.gz BIMIPXCXRUOKAD-QZTJIDSGSA-N 2 2 320.502 3.132 40 0 DGABLP C[NH+](C)CC[C@@H]1CN(Cc2cccc(Cl)c2)Cc2c[nH+]cn21 ZINC000248069367 432265435 /nfs/dbraw/zinc/26/54/35/432265435.db2.gz AQUBMGKXPQOTMY-MRXNPFEDSA-N 2 2 318.852 3.045 40 0 DGABLP Cc1nn(C)c(C)c1C[NH+]1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257211229 432419226 /nfs/dbraw/zinc/41/92/26/432419226.db2.gz BYABEDSWASZEGC-UHFFFAOYSA-N 2 2 312.461 3.195 40 0 DGABLP c1cn(-c2cccc(C3CC[NH+](Cc4cccnc4)CC3)n2)c[nH+]1 ZINC000072379069 191140894 /nfs/dbraw/zinc/14/08/94/191140894.db2.gz JLQDSFAYWYQBQN-UHFFFAOYSA-N 2 2 319.412 3.042 40 0 DGABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000072378631 191141042 /nfs/dbraw/zinc/14/10/42/191141042.db2.gz OQIHWLWWVWWJAW-GOSISDBHSA-N 2 2 319.412 3.308 40 0 DGABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072378631 191141045 /nfs/dbraw/zinc/14/10/45/191141045.db2.gz OQIHWLWWVWWJAW-GOSISDBHSA-N 2 2 319.412 3.308 40 0 DGABLP COc1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc(OC)c1 ZINC000004904183 181170725 /nfs/dbraw/zinc/17/07/25/181170725.db2.gz BAEUDDWMYJKATI-UHFFFAOYSA-N 2 2 318.461 3.154 40 0 DGABLP CNc1cccc(CC[C@@H]2CCCCN2c2cc(C)[nH+]cn2)[nH+]1 ZINC000257297645 203022624 /nfs/dbraw/zinc/02/26/24/203022624.db2.gz RIGMPZVHFQSEDT-INIZCTEOSA-N 2 2 311.433 3.213 40 0 DGABLP Cc1c(C[N@@H+]2CC[C@H]3[NH2+]CCCC[C@H]32)c(-c2ccccc2)nn1C ZINC000019712464 400186933 /nfs/dbraw/zinc/18/69/33/400186933.db2.gz SUNBZYLQWWCTBD-RTBURBONSA-N 2 2 324.472 3.112 40 0 DGABLP Cc1c(C[N@H+]2CC[C@H]3[NH2+]CCCC[C@H]32)c(-c2ccccc2)nn1C ZINC000019712464 400186935 /nfs/dbraw/zinc/18/69/35/400186935.db2.gz SUNBZYLQWWCTBD-RTBURBONSA-N 2 2 324.472 3.112 40 0 DGABLP c1ccc(N[C@H]2CCO[C@]3(CC[N@@H+](C4CCCC4)C3)C2)[nH+]c1 ZINC000096207827 431942969 /nfs/dbraw/zinc/94/29/69/431942969.db2.gz WOAQSLUXIDPQIJ-MAUKXSAKSA-N 2 2 301.434 3.060 40 0 DGABLP c1ccc(N[C@H]2CCO[C@]3(CC[N@H+](C4CCCC4)C3)C2)[nH+]c1 ZINC000096207827 431942971 /nfs/dbraw/zinc/94/29/71/431942971.db2.gz WOAQSLUXIDPQIJ-MAUKXSAKSA-N 2 2 301.434 3.060 40 0 DGABLP Cc1[nH+]cc(-c2cc([C@@H]3CCC[N@@H+](C(C)C)C3)nc(C)n2)n1C ZINC000257205929 432417626 /nfs/dbraw/zinc/41/76/26/432417626.db2.gz BBCIDNGCUJANCV-OAHLLOKOSA-N 2 2 313.449 3.082 40 0 DGABLP Cc1[nH+]cc(-c2cc([C@@H]3CCC[N@H+](C(C)C)C3)nc(C)n2)n1C ZINC000257205929 432417629 /nfs/dbraw/zinc/41/76/29/432417629.db2.gz BBCIDNGCUJANCV-OAHLLOKOSA-N 2 2 313.449 3.082 40 0 DGABLP Cc1nc(C[N@H+]2CCC[C@@H](c3cc[nH+]c(N(C)C)c3)C2)cs1 ZINC000257254959 432422766 /nfs/dbraw/zinc/42/27/66/432422766.db2.gz KFMOHDQZSNKOMM-OAHLLOKOSA-N 2 2 316.474 3.292 40 0 DGABLP Cc1nc(C[N@@H+]2CCC[C@@H](c3cc[nH+]c(N(C)C)c3)C2)cs1 ZINC000257254959 432422770 /nfs/dbraw/zinc/42/27/70/432422770.db2.gz KFMOHDQZSNKOMM-OAHLLOKOSA-N 2 2 316.474 3.292 40 0 DGABLP Cc1nc(Cn2cc[nH+]c2[C@H]2C[N@@H+](C)Cc3ccccc32)cs1 ZINC000306143572 434085100 /nfs/dbraw/zinc/08/51/00/434085100.db2.gz YFRKEUYTBJHQEO-KRWDZBQOSA-N 2 2 324.453 3.274 40 0 DGABLP Cc1nc(Cn2cc[nH+]c2[C@H]2C[N@H+](C)Cc3ccccc32)cs1 ZINC000306143572 434085112 /nfs/dbraw/zinc/08/51/12/434085112.db2.gz YFRKEUYTBJHQEO-KRWDZBQOSA-N 2 2 324.453 3.274 40 0 DGABLP Cc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](CC4CC4)C[C@@H]2C3)cc1 ZINC000306140227 534196427 /nfs/dbraw/zinc/19/64/27/534196427.db2.gz UNIZCVOBSDJNGN-ROUUACIJSA-N 2 2 307.441 3.373 40 0 DGABLP Cc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](CC4CC4)C[C@@H]2C3)cc1 ZINC000306140227 534196431 /nfs/dbraw/zinc/19/64/31/534196431.db2.gz UNIZCVOBSDJNGN-ROUUACIJSA-N 2 2 307.441 3.373 40 0 DGABLP Cc1[nH+]cc(-c2cc(CC3CC[NH+](C(C)C)CC3)ccn2)n1C ZINC000257302557 203028444 /nfs/dbraw/zinc/02/84/44/203028444.db2.gz SDJDPYLHCMOWGQ-UHFFFAOYSA-N 2 2 312.461 3.453 40 0 DGABLP c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccn2)C3)co1 ZINC000096046943 431935918 /nfs/dbraw/zinc/93/59/18/431935918.db2.gz NAVOQRSEMVYFPF-IBGZPJMESA-N 2 2 311.429 3.163 40 0 DGABLP c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccn2)C3)co1 ZINC000096046943 431935920 /nfs/dbraw/zinc/93/59/20/431935920.db2.gz NAVOQRSEMVYFPF-IBGZPJMESA-N 2 2 311.429 3.163 40 0 DGABLP c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccn2)C3)co1 ZINC000096046943 431935921 /nfs/dbraw/zinc/93/59/21/431935921.db2.gz NAVOQRSEMVYFPF-IBGZPJMESA-N 2 2 311.429 3.163 40 0 DGABLP c1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccn2)C3)co1 ZINC000096046943 431935924 /nfs/dbraw/zinc/93/59/24/431935924.db2.gz NAVOQRSEMVYFPF-IBGZPJMESA-N 2 2 311.429 3.163 40 0 DGABLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cccc[nH+]1)CC2 ZINC000096159273 431940600 /nfs/dbraw/zinc/94/06/00/431940600.db2.gz SULYIGBLUWUZHR-UHFFFAOYSA-N 2 2 322.456 3.358 40 0 DGABLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cccc[nH+]1)CC2 ZINC000096159273 431940601 /nfs/dbraw/zinc/94/06/01/431940601.db2.gz SULYIGBLUWUZHR-UHFFFAOYSA-N 2 2 322.456 3.358 40 0 DGABLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)ccc1F ZINC000257213732 432419177 /nfs/dbraw/zinc/41/91/77/432419177.db2.gz CIWOYYKIEIKQNS-CQSZACIVSA-N 2 2 303.381 3.245 40 0 DGABLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)ccc1F ZINC000257213732 432419179 /nfs/dbraw/zinc/41/91/79/432419179.db2.gz CIWOYYKIEIKQNS-CQSZACIVSA-N 2 2 303.381 3.245 40 0 DGABLP Cc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](CC4CC4)C[C@@H]2C3)cc1 ZINC000306140228 434086701 /nfs/dbraw/zinc/08/67/01/434086701.db2.gz UNIZCVOBSDJNGN-ZWKOTPCHSA-N 2 2 307.441 3.373 40 0 DGABLP Cc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@H+](CC4CC4)C[C@@H]2C3)cc1 ZINC000306140228 434086710 /nfs/dbraw/zinc/08/67/10/434086710.db2.gz UNIZCVOBSDJNGN-ZWKOTPCHSA-N 2 2 307.441 3.373 40 0 DGABLP CC(C)c1nc([C@@H]2CC3(C[N@@H+]2C)CC[NH+](CC2CC2)CC3)no1 ZINC001772494715 1176740026 /nfs/dbraw/zinc/74/00/26/1176740026.db2.gz BEKKXIHDBQBUGT-HNNXBMFYSA-N 2 2 318.465 3.062 40 0 DGABLP CC(C)c1nc([C@@H]2CC3(C[N@H+]2C)CC[NH+](CC2CC2)CC3)no1 ZINC001772494715 1176740034 /nfs/dbraw/zinc/74/00/34/1176740034.db2.gz BEKKXIHDBQBUGT-HNNXBMFYSA-N 2 2 318.465 3.062 40 0 DGABLP CC(C)c1nc([C@H]2CC3(C[N@@H+]2C)CC[NH+](CC2CC2)CC3)no1 ZINC001772494716 1176740253 /nfs/dbraw/zinc/74/02/53/1176740253.db2.gz BEKKXIHDBQBUGT-OAHLLOKOSA-N 2 2 318.465 3.062 40 0 DGABLP CC(C)c1nc([C@H]2CC3(C[N@H+]2C)CC[NH+](CC2CC2)CC3)no1 ZINC001772494716 1176740258 /nfs/dbraw/zinc/74/02/58/1176740258.db2.gz BEKKXIHDBQBUGT-OAHLLOKOSA-N 2 2 318.465 3.062 40 0 DGABLP c1cn(-c2nccnc2C2CC[NH+](Cc3ccccc3)CC2)c[nH+]1 ZINC000072350479 191127749 /nfs/dbraw/zinc/12/77/49/191127749.db2.gz DQZGPVIIJMMOFS-UHFFFAOYSA-N 2 2 319.412 3.042 40 0 DGABLP c1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3cccnc3)CC2)nc1 ZINC000096049318 431934920 /nfs/dbraw/zinc/93/49/20/431934920.db2.gz FZLXOCLKNZBUPO-UHFFFAOYSA-N 2 2 322.456 3.107 40 0 DGABLP c1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)nc1 ZINC000096049318 431934921 /nfs/dbraw/zinc/93/49/21/431934921.db2.gz FZLXOCLKNZBUPO-UHFFFAOYSA-N 2 2 322.456 3.107 40 0 DGABLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)s1 ZINC000096053796 431936635 /nfs/dbraw/zinc/93/66/35/431936635.db2.gz VIGHMSDUAOAPSU-HOTGVXAUSA-N 2 2 313.470 3.015 40 0 DGABLP Fc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4ccsc4)C[C@@H]3C2)c1 ZINC000096053856 431937146 /nfs/dbraw/zinc/93/71/46/431937146.db2.gz HOBCYVPQUSKGDG-IRXDYDNUSA-N 2 2 316.445 3.451 40 0 DGABLP Cc1[nH+]cc(-c2cncc(C3CC[NH+](CC(C)C)CC3)n2)n1C ZINC000257264744 432424551 /nfs/dbraw/zinc/42/45/51/432424551.db2.gz LVWOFDGVJMZWLY-UHFFFAOYSA-N 2 2 313.449 3.021 40 0 DGABLP c1cn(-c2cncc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)c[nH+]1 ZINC000072355451 191128823 /nfs/dbraw/zinc/12/88/23/191128823.db2.gz LTAMGFPDWZOEOS-QGZVFWFLSA-N 2 2 319.412 3.042 40 0 DGABLP c1cn(-c2cncc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c[nH+]1 ZINC000072355451 191128825 /nfs/dbraw/zinc/12/88/25/191128825.db2.gz LTAMGFPDWZOEOS-QGZVFWFLSA-N 2 2 319.412 3.042 40 0 DGABLP Cc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](n4cc[nH+]c4)CO3)C2)s1 ZINC000096048557 431934844 /nfs/dbraw/zinc/93/48/44/431934844.db2.gz VVCOFBDMQNUGCT-DOTOQJQBSA-N 2 2 317.458 3.249 40 0 DGABLP Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](n4cc[nH+]c4)CO3)C2)s1 ZINC000096048557 431934847 /nfs/dbraw/zinc/93/48/47/431934847.db2.gz VVCOFBDMQNUGCT-DOTOQJQBSA-N 2 2 317.458 3.249 40 0 DGABLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)s1 ZINC000096053733 431936337 /nfs/dbraw/zinc/93/63/37/431936337.db2.gz JYSXYYBSSDLCQK-IAGOWNOFSA-N 2 2 313.470 3.015 40 0 DGABLP COCCC[N@@H+]1CCCC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096075267 431937800 /nfs/dbraw/zinc/93/78/00/431937800.db2.gz QTXLKASXFJIXPC-UHFFFAOYSA-N 2 2 320.452 3.293 40 0 DGABLP COCCC[N@H+]1CCCC12CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096075267 431937803 /nfs/dbraw/zinc/93/78/03/431937803.db2.gz QTXLKASXFJIXPC-UHFFFAOYSA-N 2 2 320.452 3.293 40 0 DGABLP Cc1ccc(C[NH+]2CC3(C2)CC[N@H+](Cc2ccncc2)C3)s1 ZINC000096202552 431942902 /nfs/dbraw/zinc/94/29/02/431942902.db2.gz NSXZHIIXJQBQRS-UHFFFAOYSA-N 2 2 313.470 3.159 40 0 DGABLP Cc1ccc(C[NH+]2CC3(C2)CC[N@@H+](Cc2ccncc2)C3)s1 ZINC000096202552 431942904 /nfs/dbraw/zinc/94/29/04/431942904.db2.gz NSXZHIIXJQBQRS-UHFFFAOYSA-N 2 2 313.470 3.159 40 0 DGABLP