smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc2c(cc1C[NH2+][C@H](C)c1ccc(-n3cc[nH+]c3)cc1)O[C@@H](C)C2 ZINC000007984347 817975733 /nfs/dbraw/zinc/97/57/33/817975733.db2.gz ITQOEDQDJZSWPF-DLBZAZTESA-N 2 2 377.488 4.445 50 0 GIAALP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4nc(C)c(C)nc4C)C3)C2)c1 ZINC000015063485 818286973 /nfs/dbraw/zinc/28/69/73/818286973.db2.gz LLGKRHBDEDDZQI-DEOSSOPVSA-N 2 2 378.564 4.198 50 0 GIAALP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4nc(C)c(C)nc4C)C3)C2)c1 ZINC000015063485 818286980 /nfs/dbraw/zinc/28/69/80/818286980.db2.gz LLGKRHBDEDDZQI-DEOSSOPVSA-N 2 2 378.564 4.198 50 0 GIAALP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4nc(C)c(C)nc4C)C3)C2)c1 ZINC000015063485 818286986 /nfs/dbraw/zinc/28/69/86/818286986.db2.gz LLGKRHBDEDDZQI-DEOSSOPVSA-N 2 2 378.564 4.198 50 0 GIAALP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4nc(C)c(C)nc4C)C3)C2)c1 ZINC000015063485 818286994 /nfs/dbraw/zinc/28/69/94/818286994.db2.gz LLGKRHBDEDDZQI-DEOSSOPVSA-N 2 2 378.564 4.198 50 0 GIAALP O=C([C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccccc1)N1CCCC1 ZINC000008734373 204287580 /nfs/dbraw/zinc/28/75/80/204287580.db2.gz SSXHACWWYFQKSW-DEOSSOPVSA-N 2 2 391.559 4.126 50 0 GIAALP CCOC(=O)C1(CCCc2ccccc2)CC[NH+](Cc2[nH]c(CC)[nH+]c2C)CC1 ZINC000011820033 204354779 /nfs/dbraw/zinc/35/47/79/204354779.db2.gz OBHDWPUASRKWQP-UHFFFAOYSA-N 2 2 397.563 4.449 50 0 GIAALP Cc1nc2sccn2c1C[N@H+](C)C[C@@H]1CCC[NH+](CCc2ccccc2C)C1 ZINC000011820263 204355957 /nfs/dbraw/zinc/35/59/57/204355957.db2.gz GKQJZIJUGPQYMI-FQEVSTJZSA-N 2 2 396.604 4.399 50 0 GIAALP Cc1nc2sccn2c1C[N@@H+](C)C[C@@H]1CCC[NH+](CCc2ccccc2C)C1 ZINC000011820263 204355959 /nfs/dbraw/zinc/35/59/59/204355959.db2.gz GKQJZIJUGPQYMI-FQEVSTJZSA-N 2 2 396.604 4.399 50 0 GIAALP Cc1nc2sccn2c1C[NH+](C)C[C@@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000011820263 204355961 /nfs/dbraw/zinc/35/59/61/204355961.db2.gz GKQJZIJUGPQYMI-FQEVSTJZSA-N 2 2 396.604 4.399 50 0 GIAALP Cc1nc2sccn2c1C[NH+](C)C[C@@H]1CCC[N@@H+](CCc2ccccc2C)C1 ZINC000011820263 204355962 /nfs/dbraw/zinc/35/59/62/204355962.db2.gz GKQJZIJUGPQYMI-FQEVSTJZSA-N 2 2 396.604 4.399 50 0 GIAALP CC[NH+]1CCC([N@@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)CC1 ZINC000067604125 205250271 /nfs/dbraw/zinc/25/02/71/205250271.db2.gz XBYQOMPEMXCSNT-UHFFFAOYSA-N 2 2 386.923 4.391 50 0 GIAALP CC[NH+]1CCC([N@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)CC1 ZINC000067604125 205250274 /nfs/dbraw/zinc/25/02/74/205250274.db2.gz XBYQOMPEMXCSNT-UHFFFAOYSA-N 2 2 386.923 4.391 50 0 GIAALP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067655017 205252266 /nfs/dbraw/zinc/25/22/66/205252266.db2.gz INPMINPLJZJZQQ-HXUWFJFHSA-N 2 2 386.923 4.391 50 0 GIAALP C[N@H+]1CCC[C@@H]1CC[NH+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067655017 205252271 /nfs/dbraw/zinc/25/22/71/205252271.db2.gz INPMINPLJZJZQQ-HXUWFJFHSA-N 2 2 386.923 4.391 50 0 GIAALP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067655017 205252274 /nfs/dbraw/zinc/25/22/74/205252274.db2.gz INPMINPLJZJZQQ-HXUWFJFHSA-N 2 2 386.923 4.391 50 0 GIAALP C[NH+]1CCC[C@@H]1CC[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067655017 205252278 /nfs/dbraw/zinc/25/22/78/205252278.db2.gz INPMINPLJZJZQQ-HXUWFJFHSA-N 2 2 386.923 4.391 50 0 GIAALP COc1ccccc1N1CC[NH+](C2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000001155013 570249840 /nfs/dbraw/zinc/24/98/40/570249840.db2.gz PRFDASTXGZOLPD-UHFFFAOYSA-N 2 2 399.966 4.135 50 0 GIAALP CC(C)c1nccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000215535521 570289785 /nfs/dbraw/zinc/28/97/85/570289785.db2.gz IJKHPTSRNAUSQK-XMMPIXPASA-N 2 2 378.564 4.478 50 0 GIAALP CC(C)c1nccc(C[N@H+]2CCC[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000215535521 570289787 /nfs/dbraw/zinc/28/97/87/570289787.db2.gz IJKHPTSRNAUSQK-XMMPIXPASA-N 2 2 378.564 4.478 50 0 GIAALP CC(C)c1nccc(C[NH+]2CCC[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000215535521 570289789 /nfs/dbraw/zinc/28/97/89/570289789.db2.gz IJKHPTSRNAUSQK-XMMPIXPASA-N 2 2 378.564 4.478 50 0 GIAALP CC(C)c1nccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000215535521 570289790 /nfs/dbraw/zinc/28/97/90/570289790.db2.gz IJKHPTSRNAUSQK-XMMPIXPASA-N 2 2 378.564 4.478 50 0 GIAALP Cc1[nH+]cc(C[NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)n1-c1ccccc1 ZINC000072312308 570306557 /nfs/dbraw/zinc/30/65/57/570306557.db2.gz LNKWZAPKHZNFBE-QGZVFWFLSA-N 2 2 382.458 4.075 50 0 GIAALP Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]CCC[NH+](C)C ZINC000023873046 570333879 /nfs/dbraw/zinc/33/38/79/570333879.db2.gz WJHHXFLGMDNHAN-UHFFFAOYSA-N 2 2 382.483 4.153 50 0 GIAALP Brc1ccc([C@@H](Cc2ccccc2)[NH2+][C@H]2C[NH+]3CCC2CC3)cc1 ZINC000019363393 570979690 /nfs/dbraw/zinc/97/96/90/570979690.db2.gz DCJMNODLUBWXRL-RTWAWAEBSA-N 2 2 385.349 4.417 50 0 GIAALP CCCCN1CCc2[nH+]c[nH]c2C12CC[NH+](CC[C@H](C)c1ccc(C)o1)CC2 ZINC000095501055 571076349 /nfs/dbraw/zinc/07/63/49/571076349.db2.gz NOGNSTWWQMITHQ-SFHVURJKSA-N 2 2 384.568 4.454 50 0 GIAALP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4nc(C)c(C)nc4C)C3)C2)c1 ZINC000015063484 818286575 /nfs/dbraw/zinc/28/65/75/818286575.db2.gz LLGKRHBDEDDZQI-XMMPIXPASA-N 2 2 378.564 4.198 50 0 GIAALP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4nc(C)c(C)nc4C)C3)C2)c1 ZINC000015063484 818286584 /nfs/dbraw/zinc/28/65/84/818286584.db2.gz LLGKRHBDEDDZQI-XMMPIXPASA-N 2 2 378.564 4.198 50 0 GIAALP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4nc(C)c(C)nc4C)C3)C2)c1 ZINC000015063484 818286593 /nfs/dbraw/zinc/28/65/93/818286593.db2.gz LLGKRHBDEDDZQI-XMMPIXPASA-N 2 2 378.564 4.198 50 0 GIAALP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4nc(C)c(C)nc4C)C3)C2)c1 ZINC000015063484 818286601 /nfs/dbraw/zinc/28/66/01/818286601.db2.gz LLGKRHBDEDDZQI-XMMPIXPASA-N 2 2 378.564 4.198 50 0 GIAALP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cccc5c4OCO5)C3)C2)c1 ZINC000015066456 818287091 /nfs/dbraw/zinc/28/70/91/818287091.db2.gz MFFJMIIMLHBERY-XMMPIXPASA-N 2 2 378.516 4.212 50 0 GIAALP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cccc5c4OCO5)C3)C2)c1 ZINC000015066456 818287098 /nfs/dbraw/zinc/28/70/98/818287098.db2.gz MFFJMIIMLHBERY-XMMPIXPASA-N 2 2 378.516 4.212 50 0 GIAALP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cccc5c4OCO5)C3)C2)c1 ZINC000015066456 818287103 /nfs/dbraw/zinc/28/71/03/818287103.db2.gz MFFJMIIMLHBERY-XMMPIXPASA-N 2 2 378.516 4.212 50 0 GIAALP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cccc5c4OCO5)C3)C2)c1 ZINC000015066456 818287111 /nfs/dbraw/zinc/28/71/11/818287111.db2.gz MFFJMIIMLHBERY-XMMPIXPASA-N 2 2 378.516 4.212 50 0 GIAALP Cc1cc(-c2nn(-c3ccccc3F)cc2C[NH2+]CCc2c[nH]c[nH+]2)c(C)s1 ZINC000011935557 204363082 /nfs/dbraw/zinc/36/30/82/204363082.db2.gz STHZEIOPVQFWFI-UHFFFAOYSA-N 2 2 395.507 4.412 50 0 GIAALP Cc1cc(-c2nn(-c3ccccc3F)cc2C[NH2+]CCc2c[nH+]c[nH]2)c(C)s1 ZINC000011935557 204363084 /nfs/dbraw/zinc/36/30/84/204363084.db2.gz STHZEIOPVQFWFI-UHFFFAOYSA-N 2 2 395.507 4.412 50 0 GIAALP c1coc(C[NH+]2CCC([NH2+][C@H]3CCCN(c4nc5ccccc5s4)C3)CC2)c1 ZINC000011948973 204363851 /nfs/dbraw/zinc/36/38/51/204363851.db2.gz GPSQBLFXFFMFGO-SFHVURJKSA-N 2 2 396.560 4.112 50 0 GIAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2cccc(F)c2F)cc1 ZINC000012306892 204393926 /nfs/dbraw/zinc/39/39/26/204393926.db2.gz GLGDWKIXYAZIFW-HXUWFJFHSA-N 2 2 396.441 4.062 50 0 GIAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2cccc(F)c2F)cc1 ZINC000012306892 204393928 /nfs/dbraw/zinc/39/39/28/204393928.db2.gz GLGDWKIXYAZIFW-HXUWFJFHSA-N 2 2 396.441 4.062 50 0 GIAALP Clc1cccc(C[NH+]2CCC(c3nnc(C[NH+]4CCCC4)n3C3CC3)CC2)c1 ZINC000096130661 570210733 /nfs/dbraw/zinc/21/07/33/570210733.db2.gz CNSTUCRXHSSQKQ-UHFFFAOYSA-N 2 2 399.970 4.242 50 0 GIAALP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)n1-c1ccccc1 ZINC000072312307 570647563 /nfs/dbraw/zinc/64/75/63/570647563.db2.gz LNKWZAPKHZNFBE-KRWDZBQOSA-N 2 2 382.458 4.075 50 0 GIAALP CCc1[nH]c(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)c(C)[nH+]1 ZINC000015065608 570723436 /nfs/dbraw/zinc/72/34/36/570723436.db2.gz GDQBPUDZVCQDCN-KRWDZBQOSA-N 2 2 386.515 4.359 50 0 GIAALP CCc1[nH]c(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)c(C)[nH+]1 ZINC000015065608 570723439 /nfs/dbraw/zinc/72/34/39/570723439.db2.gz GDQBPUDZVCQDCN-KRWDZBQOSA-N 2 2 386.515 4.359 50 0 GIAALP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012601635 570887172 /nfs/dbraw/zinc/88/71/72/570887172.db2.gz JSEVRGIDKBLNNO-LJQANCHMSA-N 2 2 388.515 4.349 50 0 GIAALP Clc1ccccc1C[NH+]1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019361687 570979497 /nfs/dbraw/zinc/97/94/97/570979497.db2.gz VZISAOOGZSUBFG-UHFFFAOYSA-N 2 2 383.967 4.122 50 0 GIAALP Clc1ccccc1CN1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019361687 570979501 /nfs/dbraw/zinc/97/95/01/570979501.db2.gz VZISAOOGZSUBFG-UHFFFAOYSA-N 2 2 383.967 4.122 50 0 GIAALP CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2[nH]c(CC)[nH+]c2C)CC1 ZINC000019608978 571021459 /nfs/dbraw/zinc/02/14/59/571021459.db2.gz FWQGYXVBESCYHP-UHFFFAOYSA-N 2 2 383.536 4.059 50 0 GIAALP CCc1[nH]c(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)c(C)[nH+]1 ZINC000011664040 818106440 /nfs/dbraw/zinc/10/64/40/818106440.db2.gz AXXGNJRCHLUPRY-LJQANCHMSA-N 2 2 388.987 4.320 50 0 GIAALP CCc1[nH]c(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)c(C)[nH+]1 ZINC000011664040 818106446 /nfs/dbraw/zinc/10/64/46/818106446.db2.gz AXXGNJRCHLUPRY-LJQANCHMSA-N 2 2 388.987 4.320 50 0 GIAALP C[N@@H+](Cc1ccccn1)C[C@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000011821139 818124137 /nfs/dbraw/zinc/12/41/37/818124137.db2.gz OXTGAXYRXHUPOJ-LJQANCHMSA-N 2 2 391.481 4.487 50 0 GIAALP C[N@H+](Cc1ccccn1)C[C@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000011821139 818124145 /nfs/dbraw/zinc/12/41/45/818124145.db2.gz OXTGAXYRXHUPOJ-LJQANCHMSA-N 2 2 391.481 4.487 50 0 GIAALP C[NH+](Cc1ccccn1)C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000011821139 818124150 /nfs/dbraw/zinc/12/41/50/818124150.db2.gz OXTGAXYRXHUPOJ-LJQANCHMSA-N 2 2 391.481 4.487 50 0 GIAALP C[NH+](Cc1ccccn1)C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000011821139 818124154 /nfs/dbraw/zinc/12/41/54/818124154.db2.gz OXTGAXYRXHUPOJ-LJQANCHMSA-N 2 2 391.481 4.487 50 0 GIAALP CSc1ccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000004703455 204067009 /nfs/dbraw/zinc/06/70/09/204067009.db2.gz POEYTQNZCLNHEY-UHFFFAOYSA-N 2 2 381.589 4.195 50 0 GIAALP CSc1ccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC000004712140 204067432 /nfs/dbraw/zinc/06/74/32/204067432.db2.gz OIWNZSOBJYBZIG-UHFFFAOYSA-N 2 2 399.579 4.334 50 0 GIAALP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cnc[nH]2)Cc2cccnc2)CC1 ZINC000011661334 204347785 /nfs/dbraw/zinc/34/77/85/204347785.db2.gz NOMYBKRKTHRZRE-UHFFFAOYSA-N 2 2 389.547 4.028 50 0 GIAALP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cnc[nH]2)Cc2cccnc2)CC1 ZINC000011661334 204347789 /nfs/dbraw/zinc/34/77/89/204347789.db2.gz NOMYBKRKTHRZRE-UHFFFAOYSA-N 2 2 389.547 4.028 50 0 GIAALP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2c[nH]cn2)Cc2cccnc2)CC1 ZINC000011661334 204347793 /nfs/dbraw/zinc/34/77/93/204347793.db2.gz NOMYBKRKTHRZRE-UHFFFAOYSA-N 2 2 389.547 4.028 50 0 GIAALP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2c[nH]cn2)Cc2cccnc2)CC1 ZINC000011661334 204347797 /nfs/dbraw/zinc/34/77/97/204347797.db2.gz NOMYBKRKTHRZRE-UHFFFAOYSA-N 2 2 389.547 4.028 50 0 GIAALP C[N@@H+](Cc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012301664 204391183 /nfs/dbraw/zinc/39/11/83/204391183.db2.gz MVMJCWGCKIHBBQ-SFHVURJKSA-N 2 2 398.501 4.228 50 0 GIAALP C[N@H+](Cc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012301664 204391187 /nfs/dbraw/zinc/39/11/87/204391187.db2.gz MVMJCWGCKIHBBQ-SFHVURJKSA-N 2 2 398.501 4.228 50 0 GIAALP C[NH+](Cc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012301664 204391188 /nfs/dbraw/zinc/39/11/88/204391188.db2.gz MVMJCWGCKIHBBQ-SFHVURJKSA-N 2 2 398.501 4.228 50 0 GIAALP C[NH+](Cc1nc2cc(F)ccc2[nH]1)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012301664 204391191 /nfs/dbraw/zinc/39/11/91/204391191.db2.gz MVMJCWGCKIHBBQ-SFHVURJKSA-N 2 2 398.501 4.228 50 0 GIAALP CCc1c[nH+]c(C)nc1N1CCC([NH2+][C@H](CC(C)(C)C)c2cccnc2)CC1 ZINC000096137823 536020084 /nfs/dbraw/zinc/02/00/84/536020084.db2.gz BPRUKUOFINJDNC-OAQYLSRUSA-N 2 2 381.568 4.478 50 0 GIAALP C[N@H+](Cc1cc(F)ccc1Br)C1CCN(c2cccc[nH+]2)CC1 ZINC000072308291 570527784 /nfs/dbraw/zinc/52/77/84/570527784.db2.gz OUVAAGGXTZGMEB-UHFFFAOYSA-N 2 2 378.289 4.084 50 0 GIAALP C[N@@H+](Cc1cc(F)ccc1Br)C1CCN(c2cccc[nH+]2)CC1 ZINC000072308291 570527789 /nfs/dbraw/zinc/52/77/89/570527789.db2.gz OUVAAGGXTZGMEB-UHFFFAOYSA-N 2 2 378.289 4.084 50 0 GIAALP C[C@@H]([NH2+]C1(C[NH2+]Cc2cnc(C(C)(C)C)s2)CCOCC1)c1ccccc1 ZINC000097002592 570885620 /nfs/dbraw/zinc/88/56/20/570885620.db2.gz CXXTXCQEHUBZAK-QGZVFWFLSA-N 2 2 387.593 4.430 50 0 GIAALP C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012601637 570887190 /nfs/dbraw/zinc/88/71/90/570887190.db2.gz JSEVRGIDKBLNNO-IBGZPJMESA-N 2 2 388.515 4.349 50 0 GIAALP Cc1[nH+]c[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2oc3ccc(C)cc3c2C)C1 ZINC000095383091 571068624 /nfs/dbraw/zinc/06/86/24/571068624.db2.gz AENKRIVFQFJTJR-RBUKOAKNSA-N 2 2 378.520 4.178 50 0 GIAALP Cc1[nH+]c[nH]c1CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2oc3ccc(C)cc3c2C)C1 ZINC000095383091 571068626 /nfs/dbraw/zinc/06/86/26/571068626.db2.gz AENKRIVFQFJTJR-RBUKOAKNSA-N 2 2 378.520 4.178 50 0 GIAALP COc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1OCc1ccccc1 ZINC000004745746 204073165 /nfs/dbraw/zinc/07/31/65/204073165.db2.gz GEVDBEBWNBYFPF-UHFFFAOYSA-N 2 2 380.532 4.334 50 0 GIAALP Cc1[nH+]c2cc(NC(=O)[C@@H](CC(C)C)n3cccc3)ccc2n1CCC[NH+](C)C ZINC000253410249 206145196 /nfs/dbraw/zinc/14/51/96/206145196.db2.gz NBKNJWJLDVVYAN-JOCHJYFZSA-N 2 2 395.551 4.324 50 0 GIAALP Cc1cc(N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)[nH+]c2ccccc12 ZINC000095528854 136181639 /nfs/dbraw/zinc/18/16/39/136181639.db2.gz FDWAPVHYCJYBOC-UHFFFAOYSA-N 3 2 377.536 4.075 50 0 GIAALP CCNC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000020601096 570270125 /nfs/dbraw/zinc/27/01/25/570270125.db2.gz XZMSBZJXWAYRRT-GOSISDBHSA-N 2 2 380.517 4.021 50 0 GIAALP CCNC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000020601096 570270126 /nfs/dbraw/zinc/27/01/26/570270126.db2.gz XZMSBZJXWAYRRT-GOSISDBHSA-N 2 2 380.517 4.021 50 0 GIAALP CC[N@@H+](Cc1cnc(C)s1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000019225485 570964000 /nfs/dbraw/zinc/96/40/00/570964000.db2.gz HPFPYPPAZWMEBC-FQEVSTJZSA-N 2 2 387.593 4.237 50 0 GIAALP CC[N@H+](Cc1cnc(C)s1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000019225485 570964007 /nfs/dbraw/zinc/96/40/07/570964007.db2.gz HPFPYPPAZWMEBC-FQEVSTJZSA-N 2 2 387.593 4.237 50 0 GIAALP CC[NH+](Cc1cnc(C)s1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000019225485 570964010 /nfs/dbraw/zinc/96/40/10/570964010.db2.gz HPFPYPPAZWMEBC-FQEVSTJZSA-N 2 2 387.593 4.237 50 0 GIAALP CC[NH+](Cc1cnc(C)s1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000019225485 570964012 /nfs/dbraw/zinc/96/40/12/570964012.db2.gz HPFPYPPAZWMEBC-FQEVSTJZSA-N 2 2 387.593 4.237 50 0 GIAALP O=C(NCc1ccc[nH+]c1N1CCCCC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000072289380 571047292 /nfs/dbraw/zinc/04/72/92/571047292.db2.gz IQJHVHIRBQZLBO-UHFFFAOYSA-N 2 2 387.487 4.141 50 0 GIAALP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)c(Cl)cc1O ZINC000039379541 205040063 /nfs/dbraw/zinc/04/00/63/205040063.db2.gz ZTBZMJCFDUAIRI-OAQYLSRUSA-N 2 2 378.944 4.142 50 0 GIAALP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)c(Cl)cc1O ZINC000039379541 205040066 /nfs/dbraw/zinc/04/00/66/205040066.db2.gz ZTBZMJCFDUAIRI-OAQYLSRUSA-N 2 2 378.944 4.142 50 0 GIAALP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)c(Cl)cc1O ZINC000039379541 205040070 /nfs/dbraw/zinc/04/00/70/205040070.db2.gz ZTBZMJCFDUAIRI-OAQYLSRUSA-N 2 2 378.944 4.142 50 0 GIAALP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)c(Cl)cc1O ZINC000039379541 205040075 /nfs/dbraw/zinc/04/00/75/205040075.db2.gz ZTBZMJCFDUAIRI-OAQYLSRUSA-N 2 2 378.944 4.142 50 0 GIAALP Cc1[nH]c[nH+]c1-c1c(-c2ccccc2)ncn1C1CC[NH+](C2CCOCC2)CC1 ZINC000067562294 205249549 /nfs/dbraw/zinc/24/95/49/205249549.db2.gz JCUACJYGWOYSFT-UHFFFAOYSA-N 2 2 391.519 4.065 50 0 GIAALP Cc1ccc(COc2ccc(Br)cc2C[NH2+]CCC[NH+](C)C)cc1 ZINC000020874605 570283107 /nfs/dbraw/zinc/28/31/07/570283107.db2.gz GROLRTDKJKTHAH-UHFFFAOYSA-N 2 2 391.353 4.378 50 0 GIAALP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3cccc(C(C)=O)c3)C2)cc1 ZINC000012716415 570704383 /nfs/dbraw/zinc/70/43/83/570704383.db2.gz AVWVKWFYLAPAQX-QHCPKHFHSA-N 2 2 394.559 4.284 50 0 GIAALP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3cccc(C(C)=O)c3)C2)cc1 ZINC000012716415 570704385 /nfs/dbraw/zinc/70/43/85/570704385.db2.gz AVWVKWFYLAPAQX-QHCPKHFHSA-N 2 2 394.559 4.284 50 0 GIAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3cccc(C(C)=O)c3)C2)cc1 ZINC000012716415 570704388 /nfs/dbraw/zinc/70/43/88/570704388.db2.gz AVWVKWFYLAPAQX-QHCPKHFHSA-N 2 2 394.559 4.284 50 0 GIAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3cccc(C(C)=O)c3)C2)cc1 ZINC000012716415 570704390 /nfs/dbraw/zinc/70/43/90/570704390.db2.gz AVWVKWFYLAPAQX-QHCPKHFHSA-N 2 2 394.559 4.284 50 0 GIAALP O=c1occ(C[NH+]2CCCCCC2)c(O)c1C[NH+]1CCC(c2ccccc2)CC1 ZINC000101408145 570822072 /nfs/dbraw/zinc/82/20/72/570822072.db2.gz JXOWZVAXKJPSBR-UHFFFAOYSA-N 2 2 396.531 4.101 50 0 GIAALP CCCn1cc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3F)C2)c(C)n1 ZINC000015074396 570878378 /nfs/dbraw/zinc/87/83/78/570878378.db2.gz BZXVWNFOSISHOX-HXUWFJFHSA-N 2 2 386.559 4.127 50 0 GIAALP CCCn1cc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3F)C2)c(C)n1 ZINC000015074396 570878380 /nfs/dbraw/zinc/87/83/80/570878380.db2.gz BZXVWNFOSISHOX-HXUWFJFHSA-N 2 2 386.559 4.127 50 0 GIAALP CCCn1cc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)c(C)n1 ZINC000015074396 570878382 /nfs/dbraw/zinc/87/83/82/570878382.db2.gz BZXVWNFOSISHOX-HXUWFJFHSA-N 2 2 386.559 4.127 50 0 GIAALP CCCn1cc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccccc3F)C2)c(C)n1 ZINC000015074396 570878384 /nfs/dbraw/zinc/87/83/84/570878384.db2.gz BZXVWNFOSISHOX-HXUWFJFHSA-N 2 2 386.559 4.127 50 0 GIAALP CCOc1ccc(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1OC ZINC000097002583 570885655 /nfs/dbraw/zinc/88/56/55/570885655.db2.gz FIMOFHKWOPUHSO-LJQANCHMSA-N 2 2 398.547 4.084 50 0 GIAALP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccc(OC)cc1OC ZINC000001278026 570952761 /nfs/dbraw/zinc/95/27/61/570952761.db2.gz QPKTXCAIFDWWAY-UHFFFAOYSA-N 2 2 382.508 4.007 50 0 GIAALP CC(C)n1cc[nH+]c1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000095508688 571080237 /nfs/dbraw/zinc/08/02/37/571080237.db2.gz MGQNUODKAKYTGE-JOCHJYFZSA-N 2 2 394.563 4.225 50 0 GIAALP CC(C)n1cc[nH+]c1C1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000095508688 571080240 /nfs/dbraw/zinc/08/02/40/571080240.db2.gz MGQNUODKAKYTGE-JOCHJYFZSA-N 2 2 394.563 4.225 50 0 GIAALP C[N@@H+]1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(-c3ccc(Cl)cc3)o1)CC2 ZINC000095525046 571090119 /nfs/dbraw/zinc/09/01/19/571090119.db2.gz PEWXXUWEATXLKQ-UHFFFAOYSA-N 2 2 396.922 4.302 50 0 GIAALP C[N@H+]1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(-c3ccc(Cl)cc3)o1)CC2 ZINC000095525046 571090121 /nfs/dbraw/zinc/09/01/21/571090121.db2.gz PEWXXUWEATXLKQ-UHFFFAOYSA-N 2 2 396.922 4.302 50 0 GIAALP COc1ccc2c(c1)CCC[C@@H]2[NH+]1CC(Cn2c(C)c[nH+]c2-c2ccncc2)C1 ZINC000575548932 823976203 /nfs/dbraw/zinc/97/62/03/823976203.db2.gz FMWIBJXRZYWAPC-QHCPKHFHSA-N 2 2 388.515 4.272 50 0 GIAALP C[NH+](C)CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000006871432 204217555 /nfs/dbraw/zinc/21/75/55/204217555.db2.gz ORTNFTDFFJBBSI-UHFFFAOYSA-N 2 2 375.451 4.200 50 0 GIAALP CCCCc1[nH]c(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c[nH+]1 ZINC000012317109 204395092 /nfs/dbraw/zinc/39/50/92/204395092.db2.gz OMMLCHIHEFZWIF-HXUWFJFHSA-N 2 2 386.559 4.278 50 0 GIAALP CCCCc1[nH]c(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c[nH+]1 ZINC000012317109 204395096 /nfs/dbraw/zinc/39/50/96/204395096.db2.gz OMMLCHIHEFZWIF-HXUWFJFHSA-N 2 2 386.559 4.278 50 0 GIAALP COc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1OCc1cccc(Cl)c1 ZINC000040719400 205067835 /nfs/dbraw/zinc/06/78/35/205067835.db2.gz QFNNYRAWSSZVHL-UHFFFAOYSA-N 2 2 385.895 4.304 50 0 GIAALP COc1ccc2c(C)cc(NC[C@H](c3ccccc3)[NH+]3CCOCC3)[nH+]c2c1 ZINC000048354526 205122160 /nfs/dbraw/zinc/12/21/60/205122160.db2.gz PAFIHCVVAURYKH-JOCHJYFZSA-N 2 2 377.488 4.037 50 0 GIAALP CCSc1ncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc(C)c2)C3)cn1 ZINC000014951037 205180286 /nfs/dbraw/zinc/18/02/86/205180286.db2.gz AUYGRKMUALZSCT-QHCPKHFHSA-N 2 2 396.604 4.385 50 0 GIAALP CCSc1ncc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc(C)c2)C3)cn1 ZINC000014951037 205180291 /nfs/dbraw/zinc/18/02/91/205180291.db2.gz AUYGRKMUALZSCT-QHCPKHFHSA-N 2 2 396.604 4.385 50 0 GIAALP CCSc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)cn1 ZINC000014951037 205180294 /nfs/dbraw/zinc/18/02/94/205180294.db2.gz AUYGRKMUALZSCT-QHCPKHFHSA-N 2 2 396.604 4.385 50 0 GIAALP CCSc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(C)c2)C3)cn1 ZINC000014951037 205180298 /nfs/dbraw/zinc/18/02/98/205180298.db2.gz AUYGRKMUALZSCT-QHCPKHFHSA-N 2 2 396.604 4.385 50 0 GIAALP Cc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)cn1 ZINC000014959246 205180851 /nfs/dbraw/zinc/18/08/51/205180851.db2.gz PLVBUWMPMYZDOS-DEOSSOPVSA-N 2 2 378.564 4.397 50 0 GIAALP Cc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(C(C)C)cc2)C3)cn1 ZINC000014959246 205180855 /nfs/dbraw/zinc/18/08/55/205180855.db2.gz PLVBUWMPMYZDOS-DEOSSOPVSA-N 2 2 378.564 4.397 50 0 GIAALP Cc1ncc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(C(C)C)cc2)C3)cn1 ZINC000014959246 205180860 /nfs/dbraw/zinc/18/08/60/205180860.db2.gz PLVBUWMPMYZDOS-DEOSSOPVSA-N 2 2 378.564 4.397 50 0 GIAALP Cc1ncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccc(C(C)C)cc2)C3)cn1 ZINC000014959246 205180863 /nfs/dbraw/zinc/18/08/63/205180863.db2.gz PLVBUWMPMYZDOS-DEOSSOPVSA-N 2 2 378.564 4.397 50 0 GIAALP Cn1cc(C[N@H+](C)CCn2cc[nH+]c2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000067817167 205262786 /nfs/dbraw/zinc/26/27/86/205262786.db2.gz KUZAXIGYKBVDHC-UHFFFAOYSA-N 2 2 377.536 4.463 50 0 GIAALP Cn1cc(C[N@@H+](C)CCn2cc[nH+]c2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000067817167 205262791 /nfs/dbraw/zinc/26/27/91/205262791.db2.gz KUZAXIGYKBVDHC-UHFFFAOYSA-N 2 2 377.536 4.463 50 0 GIAALP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1-c1ccnn1C(C)C ZINC000022912516 570333639 /nfs/dbraw/zinc/33/36/39/570333639.db2.gz BWGCPTIZXZGWLY-QHCPKHFHSA-N 2 2 391.563 4.236 50 0 GIAALP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1-c1ccnn1C(C)C ZINC000022912516 570333641 /nfs/dbraw/zinc/33/36/41/570333641.db2.gz BWGCPTIZXZGWLY-QHCPKHFHSA-N 2 2 391.563 4.236 50 0 GIAALP CC[N@@H+](Cc1nc2ccccc2[nH]1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000023338811 570355223 /nfs/dbraw/zinc/35/52/23/570355223.db2.gz AOZNBJXTGOFGOA-FQEVSTJZSA-N 2 2 394.538 4.479 50 0 GIAALP CC[N@H+](Cc1nc2ccccc2[nH]1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000023338811 570355226 /nfs/dbraw/zinc/35/52/26/570355226.db2.gz AOZNBJXTGOFGOA-FQEVSTJZSA-N 2 2 394.538 4.479 50 0 GIAALP CC[NH+](Cc1nc2ccccc2[nH]1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000023338811 570355228 /nfs/dbraw/zinc/35/52/28/570355228.db2.gz AOZNBJXTGOFGOA-FQEVSTJZSA-N 2 2 394.538 4.479 50 0 GIAALP CC[NH+](Cc1nc2ccccc2[nH]1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000023338811 570355230 /nfs/dbraw/zinc/35/52/30/570355230.db2.gz AOZNBJXTGOFGOA-FQEVSTJZSA-N 2 2 394.538 4.479 50 0 GIAALP Clc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2cc[nH+]c2)c1 ZINC000026309192 570458556 /nfs/dbraw/zinc/45/85/56/570458556.db2.gz AGQJJOZWNJXBDQ-UHFFFAOYSA-N 2 2 377.879 4.179 50 0 GIAALP Fc1ccc(-c2ccc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)o2)cc1 ZINC000017318128 570704495 /nfs/dbraw/zinc/70/44/95/570704495.db2.gz XNJKXWYHMQLXNN-UHFFFAOYSA-N 2 2 380.463 4.208 50 0 GIAALP C[N@@H+](Cc1ccccn1)C[C@@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000011821138 818123852 /nfs/dbraw/zinc/12/38/52/818123852.db2.gz OXTGAXYRXHUPOJ-IBGZPJMESA-N 2 2 391.481 4.487 50 0 GIAALP C[N@H+](Cc1ccccn1)C[C@@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000011821138 818123857 /nfs/dbraw/zinc/12/38/57/818123857.db2.gz OXTGAXYRXHUPOJ-IBGZPJMESA-N 2 2 391.481 4.487 50 0 GIAALP C[NH+](Cc1ccccn1)C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000011821138 818123861 /nfs/dbraw/zinc/12/38/61/818123861.db2.gz OXTGAXYRXHUPOJ-IBGZPJMESA-N 2 2 391.481 4.487 50 0 GIAALP C[NH+](Cc1ccccn1)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000011821138 818123866 /nfs/dbraw/zinc/12/38/66/818123866.db2.gz OXTGAXYRXHUPOJ-IBGZPJMESA-N 2 2 391.481 4.487 50 0 GIAALP c1coc(C[NH+]2CCC([NH2+][C@@H]3CCCN(c4nc5ccccc5s4)C3)CC2)c1 ZINC000011948966 204364773 /nfs/dbraw/zinc/36/47/73/204364773.db2.gz GPSQBLFXFFMFGO-GOSISDBHSA-N 2 2 396.560 4.112 50 0 GIAALP COCc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)o1 ZINC000011998311 204365735 /nfs/dbraw/zinc/36/57/35/204365735.db2.gz GXVTZFHEMYRSPA-LJQANCHMSA-N 2 2 390.955 4.466 50 0 GIAALP COCc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)o1 ZINC000011998311 204365739 /nfs/dbraw/zinc/36/57/39/204365739.db2.gz GXVTZFHEMYRSPA-LJQANCHMSA-N 2 2 390.955 4.466 50 0 GIAALP COCc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)o1 ZINC000011998311 204365743 /nfs/dbraw/zinc/36/57/43/204365743.db2.gz GXVTZFHEMYRSPA-LJQANCHMSA-N 2 2 390.955 4.466 50 0 GIAALP COCc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)o1 ZINC000011998311 204365744 /nfs/dbraw/zinc/36/57/44/204365744.db2.gz GXVTZFHEMYRSPA-LJQANCHMSA-N 2 2 390.955 4.466 50 0 GIAALP CCOc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Br)c1OC(C)C ZINC000040719412 205066760 /nfs/dbraw/zinc/06/67/60/205066760.db2.gz LTJJEPLULBAKLC-UHFFFAOYSA-N 2 2 396.329 4.011 50 0 GIAALP Cc1ccc([C@H](Cn2cnc(-c3ccccc3)c2-c2[nH+]c[nH]c2C)[NH+](C)C)o1 ZINC000067820493 205262916 /nfs/dbraw/zinc/26/29/16/205262916.db2.gz DKKCQJAJLPKUGB-SFHVURJKSA-N 2 2 375.476 4.453 50 0 GIAALP C/C(=C\c1ccccc1)C[N@@H+]1CCCn2nc(C[NH+]3CCC(F)CC3)cc2C1 ZINC000072168607 205315983 /nfs/dbraw/zinc/31/59/83/205315983.db2.gz OPWGYZSTJGUZDG-XMHGGMMESA-N 2 2 382.527 4.126 50 0 GIAALP C/C(=C\c1ccccc1)C[N@H+]1CCCn2nc(C[NH+]3CCC(F)CC3)cc2C1 ZINC000072168607 205315988 /nfs/dbraw/zinc/31/59/88/205315988.db2.gz OPWGYZSTJGUZDG-XMHGGMMESA-N 2 2 382.527 4.126 50 0 GIAALP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)c1nnc(-c2ccc(F)cc2)o1 ZINC000012932565 205882593 /nfs/dbraw/zinc/88/25/93/205882593.db2.gz WRJHMUUWCFGJJL-MRXNPFEDSA-N 2 2 380.467 4.322 50 0 GIAALP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)cc(Cl)c1O ZINC000055133643 206209897 /nfs/dbraw/zinc/20/98/97/206209897.db2.gz RSUHQZIEPNTZEA-NRFANRHFSA-N 2 2 378.944 4.142 50 0 GIAALP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCC2)C3)cc(Cl)c1O ZINC000055133643 206209902 /nfs/dbraw/zinc/20/99/02/206209902.db2.gz RSUHQZIEPNTZEA-NRFANRHFSA-N 2 2 378.944 4.142 50 0 GIAALP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)cc(Cl)c1O ZINC000055133643 206209905 /nfs/dbraw/zinc/20/99/05/206209905.db2.gz RSUHQZIEPNTZEA-NRFANRHFSA-N 2 2 378.944 4.142 50 0 GIAALP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)cc(Cl)c1O ZINC000055133643 206209908 /nfs/dbraw/zinc/20/99/08/206209908.db2.gz RSUHQZIEPNTZEA-NRFANRHFSA-N 2 2 378.944 4.142 50 0 GIAALP Cc1cc(N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)nc(C(C)C)[nH+]1 ZINC000072159462 136167195 /nfs/dbraw/zinc/16/71/95/136167195.db2.gz PRFPNNFCZZIOPL-NRFANRHFSA-N 2 2 393.579 4.008 50 0 GIAALP Cc1ccccc1-n1cc(C[N@@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)cn1 ZINC000072412201 136169645 /nfs/dbraw/zinc/16/96/45/136169645.db2.gz MDBMYIXRHOUWSG-UHFFFAOYSA-N 2 2 387.531 4.211 50 0 GIAALP Cc1ccccc1-n1cc(C[N@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)cn1 ZINC000072412201 136169646 /nfs/dbraw/zinc/16/96/46/136169646.db2.gz MDBMYIXRHOUWSG-UHFFFAOYSA-N 2 2 387.531 4.211 50 0 GIAALP CCc1cc(N2CCC(c3[nH+]ccn3C(C)C)CC2)nc(N2CCCCC2)[nH+]1 ZINC000095356975 136177972 /nfs/dbraw/zinc/17/79/72/136177972.db2.gz JFWMEBOIAQZWCG-UHFFFAOYSA-N 2 2 382.556 4.191 50 0 GIAALP CCn1cc[nH+]c1C1CCN(c2cc(C)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000095509511 136180328 /nfs/dbraw/zinc/18/03/28/136180328.db2.gz HGIODYOQOFTYNF-UHFFFAOYSA-N 2 2 380.492 4.161 50 0 GIAALP Cc1cc(N2CCC([NH2+][C@H](C)c3nccs3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000095527903 136181641 /nfs/dbraw/zinc/18/16/41/136181641.db2.gz YPTUZZOWGCFDGD-MRXNPFEDSA-N 2 2 379.533 4.228 50 0 GIAALP COc1ccc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1OC ZINC000012873883 570274463 /nfs/dbraw/zinc/27/44/63/570274463.db2.gz MPRJZRHVNXBVDV-UHFFFAOYSA-N 2 2 397.906 4.228 50 0 GIAALP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)CC1 ZINC000020706478 570275014 /nfs/dbraw/zinc/27/50/14/570275014.db2.gz JOEBNFCEYXLABM-FQEVSTJZSA-N 2 2 380.507 4.482 50 0 GIAALP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)CC1 ZINC000020706478 570275016 /nfs/dbraw/zinc/27/50/16/570275016.db2.gz JOEBNFCEYXLABM-FQEVSTJZSA-N 2 2 380.507 4.482 50 0 GIAALP COc1ccc([C@@H](CNc2cc(C)[nH+]c3ccccc23)[NH+]2CCOCC2)cc1 ZINC000089583119 570494637 /nfs/dbraw/zinc/49/46/37/570494637.db2.gz LYGSOJWPYOHEEL-HSZRJFAPSA-N 2 2 377.488 4.037 50 0 GIAALP Cc1[nH]c2ccc(Oc3ccccc3)cc2c(=O)c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000000950402 570737029 /nfs/dbraw/zinc/73/70/29/570737029.db2.gz XSVGGJVZBJUZQE-UHFFFAOYSA-N 2 2 391.515 4.155 50 0 GIAALP Cc1[nH]c2ccc(Oc3ccccc3)cc2c(=O)c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000000950402 570737031 /nfs/dbraw/zinc/73/70/31/570737031.db2.gz XSVGGJVZBJUZQE-UHFFFAOYSA-N 2 2 391.515 4.155 50 0 GIAALP COc1cc(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCCC2)cc(OC)c1OC ZINC000097002542 570885790 /nfs/dbraw/zinc/88/57/90/570885790.db2.gz IBZPQMVCKGFSEO-SFHVURJKSA-N 2 2 398.547 4.466 50 0 GIAALP Brc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000019363394 570979768 /nfs/dbraw/zinc/97/97/68/570979768.db2.gz DCJMNODLUBWXRL-LEWJYISDSA-N 2 2 385.349 4.417 50 0 GIAALP CC(=O)c1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c1 ZINC000012702285 818176849 /nfs/dbraw/zinc/17/68/49/818176849.db2.gz GWJJAIDELOLDEJ-QFIPXVFZSA-N 2 2 382.523 4.415 50 0 GIAALP CC(=O)c1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c1 ZINC000012702285 818176851 /nfs/dbraw/zinc/17/68/51/818176851.db2.gz GWJJAIDELOLDEJ-QFIPXVFZSA-N 2 2 382.523 4.415 50 0 GIAALP CC(=O)c1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c1 ZINC000012702285 818176854 /nfs/dbraw/zinc/17/68/54/818176854.db2.gz GWJJAIDELOLDEJ-QFIPXVFZSA-N 2 2 382.523 4.415 50 0 GIAALP CC(=O)c1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c1 ZINC000012702285 818176856 /nfs/dbraw/zinc/17/68/56/818176856.db2.gz GWJJAIDELOLDEJ-QFIPXVFZSA-N 2 2 382.523 4.415 50 0 GIAALP Cc1ccc(-c2nnc([C@H](C)[NH2+]Cc3ccccc3C[NH+]3CCCC3)o2)cc1 ZINC000008340343 204272959 /nfs/dbraw/zinc/27/29/59/204272959.db2.gz CJDWQYLXLHYLRS-SFHVURJKSA-N 2 2 376.504 4.492 50 0 GIAALP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(n2c3ccc(F)cc3[nH+]c2C2CCC2)CC1 ZINC000011911625 204360352 /nfs/dbraw/zinc/36/03/52/204360352.db2.gz GMQSSXOAKOVFCH-NRFANRHFSA-N 2 2 398.526 4.091 50 0 GIAALP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(n2c3ccc(F)cc3[nH+]c2C2CCC2)CC1 ZINC000011911625 204360353 /nfs/dbraw/zinc/36/03/53/204360353.db2.gz GMQSSXOAKOVFCH-NRFANRHFSA-N 2 2 398.526 4.091 50 0 GIAALP OCC1CC[NH+](CCn2c[nH+]c(-c3ccccc3)c2CCc2ccccc2)CC1 ZINC000065395521 205233383 /nfs/dbraw/zinc/23/33/83/205233383.db2.gz GMICOACAKHGSQV-UHFFFAOYSA-N 2 2 389.543 4.040 50 0 GIAALP Cc1ccc2c(c1)c1c(n2CCc2ccccn2)CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000071294925 205280493 /nfs/dbraw/zinc/28/04/93/205280493.db2.gz ZVMAXLHJDKBSDN-UHFFFAOYSA-N 2 2 388.559 4.040 50 0 GIAALP Cc1ccc2c(c1)c1c(n2CCc2ccccn2)CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000071294925 205280499 /nfs/dbraw/zinc/28/04/99/205280499.db2.gz ZVMAXLHJDKBSDN-UHFFFAOYSA-N 2 2 388.559 4.040 50 0 GIAALP Cc1[nH+]c2cc(NC(=O)c3ccc4ccn(C)c4c3)ccc2n1CCC[NH+](C)C ZINC000095473471 205465042 /nfs/dbraw/zinc/46/50/42/205465042.db2.gz IBBINRTYYQFMJK-UHFFFAOYSA-N 2 2 389.503 4.040 50 0 GIAALP c1[nH]nc(C2CCCCC2)c1C[N@@H+]1CCCC12CCN(c1cccc[nH+]1)CC2 ZINC000072425609 136169892 /nfs/dbraw/zinc/16/98/92/136169892.db2.gz UXUMOOUAPGDKMT-UHFFFAOYSA-N 2 2 379.552 4.487 50 0 GIAALP c1[nH]nc(C2CCCCC2)c1C[N@H+]1CCCC12CCN(c1cccc[nH+]1)CC2 ZINC000072425609 136169893 /nfs/dbraw/zinc/16/98/93/136169893.db2.gz UXUMOOUAPGDKMT-UHFFFAOYSA-N 2 2 379.552 4.487 50 0 GIAALP c1cn(Cc2cscn2)c(C2CCN(c3[nH+]ccc4ccccc43)CC2)[nH+]1 ZINC000095499175 136179670 /nfs/dbraw/zinc/17/96/70/136179670.db2.gz DCKFZNFRZCVTPT-UHFFFAOYSA-N 2 2 375.501 4.320 50 0 GIAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(c2ccc3cc(Cl)ccc3n2)CC1 ZINC000095506176 136180068 /nfs/dbraw/zinc/18/00/68/136180068.db2.gz ARYUKLJRBLUZGD-UHFFFAOYSA-N 2 2 383.927 4.030 50 0 GIAALP CCCc1c[nH+]c(C)nc1N1CCC([NH2+][C@H](C)c2nc3cc(C)ccc3[nH]2)CC1 ZINC000095388906 535437009 /nfs/dbraw/zinc/43/70/09/535437009.db2.gz AYBWPNXBDSKQEV-MRXNPFEDSA-N 2 2 392.551 4.242 50 0 GIAALP CCCc1c[nH+]c(C)nc1N1CCC([NH2+][C@H](C)c2nc3ccc(C)cc3[nH]2)CC1 ZINC000095388906 535437015 /nfs/dbraw/zinc/43/70/15/535437015.db2.gz AYBWPNXBDSKQEV-MRXNPFEDSA-N 2 2 392.551 4.242 50 0 GIAALP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000020514659 570264855 /nfs/dbraw/zinc/26/48/55/570264855.db2.gz GCGLEWATFRVLAL-KRWDZBQOSA-N 2 2 382.470 4.473 50 0 GIAALP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000020514659 570264858 /nfs/dbraw/zinc/26/48/58/570264858.db2.gz GCGLEWATFRVLAL-KRWDZBQOSA-N 2 2 382.470 4.473 50 0 GIAALP c1cn(CCCOc2ccc(C[NH+]3CCC(c4ccncc4)CC3)cc2)c[nH+]1 ZINC000216214247 570297127 /nfs/dbraw/zinc/29/71/27/570297127.db2.gz ZMFNCFZLWAEAPF-UHFFFAOYSA-N 2 2 376.504 4.127 50 0 GIAALP COc1ccc(NC(=O)[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)c2ccccc2)cc1 ZINC000025210908 570408130 /nfs/dbraw/zinc/40/81/30/570408130.db2.gz BOTGNHPHVCCKGW-HSZRJFAPSA-N 2 2 395.547 4.087 50 0 GIAALP CCn1cc(C[N@H+](CC)C[C@@H]2CCC[NH+](CCc3cccc(F)c3)C2)c(C)n1 ZINC000015074249 570878322 /nfs/dbraw/zinc/87/83/22/570878322.db2.gz APORVKQGAJJXRM-NRFANRHFSA-N 2 2 386.559 4.127 50 0 GIAALP CCn1cc(C[N@@H+](CC)C[C@@H]2CCC[NH+](CCc3cccc(F)c3)C2)c(C)n1 ZINC000015074249 570878325 /nfs/dbraw/zinc/87/83/25/570878325.db2.gz APORVKQGAJJXRM-NRFANRHFSA-N 2 2 386.559 4.127 50 0 GIAALP CCn1cc(C[NH+](CC)C[C@@H]2CCC[N@H+](CCc3cccc(F)c3)C2)c(C)n1 ZINC000015074249 570878326 /nfs/dbraw/zinc/87/83/26/570878326.db2.gz APORVKQGAJJXRM-NRFANRHFSA-N 2 2 386.559 4.127 50 0 GIAALP CCn1cc(C[NH+](CC)C[C@@H]2CCC[N@@H+](CCc3cccc(F)c3)C2)c(C)n1 ZINC000015074249 570878328 /nfs/dbraw/zinc/87/83/28/570878328.db2.gz APORVKQGAJJXRM-NRFANRHFSA-N 2 2 386.559 4.127 50 0 GIAALP CC[N@@H+](Cc1cnc(C)s1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000019225488 570963773 /nfs/dbraw/zinc/96/37/73/570963773.db2.gz HPFPYPPAZWMEBC-HXUWFJFHSA-N 2 2 387.593 4.237 50 0 GIAALP CC[N@H+](Cc1cnc(C)s1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000019225488 570963774 /nfs/dbraw/zinc/96/37/74/570963774.db2.gz HPFPYPPAZWMEBC-HXUWFJFHSA-N 2 2 387.593 4.237 50 0 GIAALP CC[NH+](Cc1cnc(C)s1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000019225488 570963778 /nfs/dbraw/zinc/96/37/78/570963778.db2.gz HPFPYPPAZWMEBC-HXUWFJFHSA-N 2 2 387.593 4.237 50 0 GIAALP CC[NH+](Cc1cnc(C)s1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000019225488 570963780 /nfs/dbraw/zinc/96/37/80/570963780.db2.gz HPFPYPPAZWMEBC-HXUWFJFHSA-N 2 2 387.593 4.237 50 0 GIAALP CCCn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc(C)c2)C3)c(C)n1 ZINC000019218090 818588168 /nfs/dbraw/zinc/58/81/68/818588168.db2.gz OHULEEKUGZPEGS-XMMPIXPASA-N 2 2 380.580 4.398 50 0 GIAALP CCCn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc(C)c2)C3)c(C)n1 ZINC000019218090 818588173 /nfs/dbraw/zinc/58/81/73/818588173.db2.gz OHULEEKUGZPEGS-XMMPIXPASA-N 2 2 380.580 4.398 50 0 GIAALP CCCn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)c(C)n1 ZINC000019218090 818588181 /nfs/dbraw/zinc/58/81/81/818588181.db2.gz OHULEEKUGZPEGS-XMMPIXPASA-N 2 2 380.580 4.398 50 0 GIAALP CCCn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(C)c2)C3)c(C)n1 ZINC000019218090 818588190 /nfs/dbraw/zinc/58/81/90/818588190.db2.gz OHULEEKUGZPEGS-XMMPIXPASA-N 2 2 380.580 4.398 50 0 GIAALP CCCCc1[nH]c(CN(C)C[C@@H]2CCC[N@H+](CCc3ccccc3OC)C2)c[nH+]1 ZINC000015075405 207045595 /nfs/dbraw/zinc/04/55/95/207045595.db2.gz WEFPLACGXIRMLD-FQEVSTJZSA-N 2 2 398.595 4.147 50 0 GIAALP CCCCc1[nH]c(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3OC)C2)c[nH+]1 ZINC000015075405 207045599 /nfs/dbraw/zinc/04/55/99/207045599.db2.gz WEFPLACGXIRMLD-FQEVSTJZSA-N 2 2 398.595 4.147 50 0 GIAALP CCn1cc(C[N@H+](CC)C[C@H]2CCC[NH+](CCc3cccc(F)c3)C2)c(C)n1 ZINC000015074250 207044644 /nfs/dbraw/zinc/04/46/44/207044644.db2.gz APORVKQGAJJXRM-OAQYLSRUSA-N 2 2 386.559 4.127 50 0 GIAALP CCn1cc(C[N@@H+](CC)C[C@H]2CCC[NH+](CCc3cccc(F)c3)C2)c(C)n1 ZINC000015074250 207044648 /nfs/dbraw/zinc/04/46/48/207044648.db2.gz APORVKQGAJJXRM-OAQYLSRUSA-N 2 2 386.559 4.127 50 0 GIAALP CCn1cc(C[NH+](CC)C[C@H]2CCC[N@H+](CCc3cccc(F)c3)C2)c(C)n1 ZINC000015074250 207044651 /nfs/dbraw/zinc/04/46/51/207044651.db2.gz APORVKQGAJJXRM-OAQYLSRUSA-N 2 2 386.559 4.127 50 0 GIAALP CCn1cc(C[NH+](CC)C[C@H]2CCC[N@@H+](CCc3cccc(F)c3)C2)c(C)n1 ZINC000015074250 207044655 /nfs/dbraw/zinc/04/46/55/207044655.db2.gz APORVKQGAJJXRM-OAQYLSRUSA-N 2 2 386.559 4.127 50 0 GIAALP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000241515615 209019398 /nfs/dbraw/zinc/01/93/98/209019398.db2.gz OGNBAVWGCZDVRA-UHFFFAOYSA-N 2 2 395.975 4.197 50 0 GIAALP COCCn1cc[nH+]c1[C@@H]1CCCN(c2cc(C)c3cc4c(cc3[nH+]2)CCC4)C1 ZINC000095505164 136180081 /nfs/dbraw/zinc/18/00/81/136180081.db2.gz JEWPCIOPMGHIJQ-HXUWFJFHSA-N 2 2 390.531 4.259 50 0 GIAALP Cc1cc(N2CCC([N@H+](C)Cc3ncc(-c4ccccc4C)o3)CC2)nc(C)[nH+]1 ZINC000072308286 570527546 /nfs/dbraw/zinc/52/75/46/570527546.db2.gz POVMMZMSJSDWHU-UHFFFAOYSA-N 2 2 391.519 4.158 50 0 GIAALP Cc1cc(N2CCC([N@@H+](C)Cc3ncc(-c4ccccc4C)o3)CC2)nc(C)[nH+]1 ZINC000072308286 570527549 /nfs/dbraw/zinc/52/75/49/570527549.db2.gz POVMMZMSJSDWHU-UHFFFAOYSA-N 2 2 391.519 4.158 50 0 GIAALP Cc1nc2sccn2c1C[N@H+](C)C[C@H]1CCC[NH+](CCc2ccccc2C)C1 ZINC000011820264 570586233 /nfs/dbraw/zinc/58/62/33/570586233.db2.gz GKQJZIJUGPQYMI-HXUWFJFHSA-N 2 2 396.604 4.399 50 0 GIAALP Cc1nc2sccn2c1C[N@@H+](C)C[C@H]1CCC[NH+](CCc2ccccc2C)C1 ZINC000011820264 570586234 /nfs/dbraw/zinc/58/62/34/570586234.db2.gz GKQJZIJUGPQYMI-HXUWFJFHSA-N 2 2 396.604 4.399 50 0 GIAALP Cc1nc2sccn2c1C[NH+](C)C[C@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000011820264 570586235 /nfs/dbraw/zinc/58/62/35/570586235.db2.gz GKQJZIJUGPQYMI-HXUWFJFHSA-N 2 2 396.604 4.399 50 0 GIAALP Cc1nc2sccn2c1C[NH+](C)C[C@H]1CCC[N@@H+](CCc2ccccc2C)C1 ZINC000011820264 570586236 /nfs/dbraw/zinc/58/62/36/570586236.db2.gz GKQJZIJUGPQYMI-HXUWFJFHSA-N 2 2 396.604 4.399 50 0 GIAALP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3c(F)cccc3Cl)cc2)C[C@H](C)O1 ZINC000084706353 571032180 /nfs/dbraw/zinc/03/21/80/571032180.db2.gz PVDPEGNRIXQXPA-IYBDPMFKSA-N 2 2 376.903 4.378 50 0 GIAALP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3c(F)cccc3Cl)cc2)C[C@H](C)O1 ZINC000084706353 571032183 /nfs/dbraw/zinc/03/21/83/571032183.db2.gz PVDPEGNRIXQXPA-IYBDPMFKSA-N 2 2 376.903 4.378 50 0 GIAALP CCc1[nH]c(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)c(C)[nH+]1 ZINC000011664039 818106386 /nfs/dbraw/zinc/10/63/86/818106386.db2.gz AXXGNJRCHLUPRY-IBGZPJMESA-N 2 2 388.987 4.320 50 0 GIAALP CCc1[nH]c(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)c(C)[nH+]1 ZINC000011664039 818106395 /nfs/dbraw/zinc/10/63/95/818106395.db2.gz AXXGNJRCHLUPRY-IBGZPJMESA-N 2 2 388.987 4.320 50 0 GIAALP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cc(OC)ccc1OC ZINC000000809663 206323129 /nfs/dbraw/zinc/32/31/29/206323129.db2.gz RUTBUUKAFBRXLT-UHFFFAOYSA-N 2 2 382.508 4.007 50 0 GIAALP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3c[nH+]cn3C3CC3)CC2)C1 ZINC000091475787 208119778 /nfs/dbraw/zinc/11/97/78/208119778.db2.gz RTAWXQVWDLELGP-OAQYLSRUSA-N 3 2 378.564 4.310 50 0 GIAALP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3c[nH+]cn3C3CC3)CC2)C1 ZINC000091475787 208119783 /nfs/dbraw/zinc/11/97/83/208119783.db2.gz RTAWXQVWDLELGP-OAQYLSRUSA-N 3 2 378.564 4.310 50 0 GIAALP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3c[nH+]cn3C3CC3)CC2)C1 ZINC000091475791 208120512 /nfs/dbraw/zinc/12/05/12/208120512.db2.gz RTAWXQVWDLELGP-NRFANRHFSA-N 3 2 378.564 4.310 50 0 GIAALP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3c[nH+]cn3C3CC3)CC2)C1 ZINC000091475791 208120516 /nfs/dbraw/zinc/12/05/16/208120516.db2.gz RTAWXQVWDLELGP-NRFANRHFSA-N 3 2 378.564 4.310 50 0 GIAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000095376718 208168628 /nfs/dbraw/zinc/16/86/28/208168628.db2.gz OGHYGPHYZXXWFC-UHFFFAOYSA-N 2 2 390.531 4.008 50 0 GIAALP Cc1ccc(-c2noc(CCC[N@@H+](CC(C)C)C3CC[NH+](C)CC3)n2)cc1F ZINC000095446708 208184029 /nfs/dbraw/zinc/18/40/29/208184029.db2.gz GCCPKOREGNJLST-UHFFFAOYSA-N 2 2 388.531 4.169 50 0 GIAALP Cc1ccc(-c2noc(CCC[N@H+](CC(C)C)C3CC[NH+](C)CC3)n2)cc1F ZINC000095446708 208184034 /nfs/dbraw/zinc/18/40/34/208184034.db2.gz GCCPKOREGNJLST-UHFFFAOYSA-N 2 2 388.531 4.169 50 0 GIAALP CCn1cc[nH+]c1C1CCN(C(=O)c2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000095500431 208200014 /nfs/dbraw/zinc/20/00/14/208200014.db2.gz UJVRDEFPILJCAE-UHFFFAOYSA-N 2 2 394.563 4.299 50 0 GIAALP Cc1cccc(OC2CC[NH+](C3CC[NH+](Cc4cccc(F)c4)CC3)CC2)n1 ZINC000095940899 208238681 /nfs/dbraw/zinc/23/86/81/208238681.db2.gz JKLCBGVUSLWYSC-UHFFFAOYSA-N 2 2 383.511 4.037 50 0 GIAALP CCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc3c4c2cccc4C(=O)OC3)C1 ZINC000244874681 209023106 /nfs/dbraw/zinc/02/31/06/209023106.db2.gz XFNJDIFZMPQHKG-QGZVFWFLSA-N 2 2 375.472 4.106 50 0 GIAALP CCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc3c4c2cccc4C(=O)OC3)C1 ZINC000244874681 209023110 /nfs/dbraw/zinc/02/31/10/209023110.db2.gz XFNJDIFZMPQHKG-QGZVFWFLSA-N 2 2 375.472 4.106 50 0 GIAALP CC[NH+](CC)CCC[NH2+]Cc1nn(Cc2ccc(C)cc2)nc1-c1ccccc1 ZINC000261491967 209080819 /nfs/dbraw/zinc/08/08/19/209080819.db2.gz NAKPVQMPESZOMQ-UHFFFAOYSA-N 2 2 391.563 4.123 50 0 GIAALP C[NH+](C)CCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000008373842 570530064 /nfs/dbraw/zinc/53/00/64/570530064.db2.gz VWQLKPBPRDLWPC-UHFFFAOYSA-N 2 2 395.316 4.209 50 0 GIAALP COc1ccc(F)c(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c1 ZINC000011763832 570582047 /nfs/dbraw/zinc/58/20/47/570582047.db2.gz JEXKWZVWRFGTKD-IBGZPJMESA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(F)c(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c1 ZINC000011763832 570582048 /nfs/dbraw/zinc/58/20/48/570582048.db2.gz JEXKWZVWRFGTKD-IBGZPJMESA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(F)c(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c1 ZINC000011763832 570582050 /nfs/dbraw/zinc/58/20/50/570582050.db2.gz JEXKWZVWRFGTKD-IBGZPJMESA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(F)c(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c1 ZINC000011763832 570582051 /nfs/dbraw/zinc/58/20/51/570582051.db2.gz JEXKWZVWRFGTKD-IBGZPJMESA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3cccc(C(C)=O)c3)C2)cc1 ZINC000012716419 570704476 /nfs/dbraw/zinc/70/44/76/570704476.db2.gz AVWVKWFYLAPAQX-HSZRJFAPSA-N 2 2 394.559 4.284 50 0 GIAALP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3cccc(C(C)=O)c3)C2)cc1 ZINC000012716419 570704479 /nfs/dbraw/zinc/70/44/79/570704479.db2.gz AVWVKWFYLAPAQX-HSZRJFAPSA-N 2 2 394.559 4.284 50 0 GIAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3cccc(C(C)=O)c3)C2)cc1 ZINC000012716419 570704483 /nfs/dbraw/zinc/70/44/83/570704483.db2.gz AVWVKWFYLAPAQX-HSZRJFAPSA-N 2 2 394.559 4.284 50 0 GIAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3cccc(C(C)=O)c3)C2)cc1 ZINC000012716419 570704484 /nfs/dbraw/zinc/70/44/84/570704484.db2.gz AVWVKWFYLAPAQX-HSZRJFAPSA-N 2 2 394.559 4.284 50 0 GIAALP Cc1ccc(-n2cc(C[N@H+](C)CCn3cc[nH+]c3)c(-c3ccc(F)cc3)n2)cc1 ZINC000059807796 570739250 /nfs/dbraw/zinc/73/92/50/570739250.db2.gz NRUBVOZKZDXMAK-UHFFFAOYSA-N 2 2 389.478 4.315 50 0 GIAALP Cc1ccc(-n2cc(C[N@@H+](C)CCn3cc[nH+]c3)c(-c3ccc(F)cc3)n2)cc1 ZINC000059807796 570739255 /nfs/dbraw/zinc/73/92/55/570739255.db2.gz NRUBVOZKZDXMAK-UHFFFAOYSA-N 2 2 389.478 4.315 50 0 GIAALP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000067673244 570785299 /nfs/dbraw/zinc/78/52/99/570785299.db2.gz OAOKIILEDPEIRE-INIZCTEOSA-N 2 2 379.426 4.203 50 0 GIAALP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000067673244 570785302 /nfs/dbraw/zinc/78/53/02/570785302.db2.gz OAOKIILEDPEIRE-INIZCTEOSA-N 2 2 379.426 4.203 50 0 GIAALP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000067673244 570785307 /nfs/dbraw/zinc/78/53/07/570785307.db2.gz OAOKIILEDPEIRE-INIZCTEOSA-N 2 2 379.426 4.203 50 0 GIAALP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000067673244 570785312 /nfs/dbraw/zinc/78/53/12/570785312.db2.gz OAOKIILEDPEIRE-INIZCTEOSA-N 2 2 379.426 4.203 50 0 GIAALP Cc1[nH+]cc(C[N@@H+]2CCc3[nH]nc(-c4ccc(-c5ccccc5)cc4)c3C2)n1C ZINC000067805346 570792486 /nfs/dbraw/zinc/79/24/86/570792486.db2.gz SYEGOXIHCGJRQX-UHFFFAOYSA-N 2 2 383.499 4.344 50 0 GIAALP Cc1[nH+]cc(C[N@H+]2CCc3[nH]nc(-c4ccc(-c5ccccc5)cc4)c3C2)n1C ZINC000067805346 570792487 /nfs/dbraw/zinc/79/24/87/570792487.db2.gz SYEGOXIHCGJRQX-UHFFFAOYSA-N 2 2 383.499 4.344 50 0 GIAALP CCc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C(=O)c2ccc3cc(OC)ccc3c2)C1 ZINC000071682107 570842315 /nfs/dbraw/zinc/84/23/15/570842315.db2.gz GVCHYDFSCKJXHT-OAQYLSRUSA-N 2 2 391.515 4.202 50 0 GIAALP CCc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C(=O)c2ccc3cc(OC)ccc3c2)C1 ZINC000071682107 570842317 /nfs/dbraw/zinc/84/23/17/570842317.db2.gz GVCHYDFSCKJXHT-OAQYLSRUSA-N 2 2 391.515 4.202 50 0 GIAALP COc1ccc(NC(=O)[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)c2ccccc2)cc1 ZINC000025210903 207301425 /nfs/dbraw/zinc/30/14/25/207301425.db2.gz BOTGNHPHVCCKGW-QHCPKHFHSA-N 2 2 395.547 4.087 50 0 GIAALP CC(C)c1ncc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)cn1 ZINC000095513287 208212803 /nfs/dbraw/zinc/21/28/03/208212803.db2.gz MRGFGWVDJFZNSO-FQEVSTJZSA-N 2 2 384.543 4.126 50 0 GIAALP CC(C)c1ncc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)cn1 ZINC000095513287 208212808 /nfs/dbraw/zinc/21/28/08/208212808.db2.gz MRGFGWVDJFZNSO-FQEVSTJZSA-N 2 2 384.543 4.126 50 0 GIAALP CC(C)c1ncc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cn1 ZINC000095513287 208212811 /nfs/dbraw/zinc/21/28/11/208212811.db2.gz MRGFGWVDJFZNSO-FQEVSTJZSA-N 2 2 384.543 4.126 50 0 GIAALP CC(C)c1ncc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)cn1 ZINC000095513287 208212816 /nfs/dbraw/zinc/21/28/16/208212816.db2.gz MRGFGWVDJFZNSO-FQEVSTJZSA-N 2 2 384.543 4.126 50 0 GIAALP O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCC[N@H+](CCc2[nH]cc[nH+]2)C1 ZINC000095519245 208215955 /nfs/dbraw/zinc/21/59/55/208215955.db2.gz PKFOHCZYRXSQKX-IBGZPJMESA-N 2 2 392.478 4.109 50 0 GIAALP O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCC[N@@H+](CCc2[nH]cc[nH+]2)C1 ZINC000095519245 208215963 /nfs/dbraw/zinc/21/59/63/208215963.db2.gz PKFOHCZYRXSQKX-IBGZPJMESA-N 2 2 392.478 4.109 50 0 GIAALP CCCc1c[nH+]c(C)nc1N1CCC([NH2+][C@@H](C)c2nc3cc(C)ccc3[nH]2)CC1 ZINC000095388905 535436277 /nfs/dbraw/zinc/43/62/77/535436277.db2.gz AYBWPNXBDSKQEV-INIZCTEOSA-N 2 2 392.551 4.242 50 0 GIAALP CCCc1c[nH+]c(C)nc1N1CCC([NH2+][C@@H](C)c2nc3ccc(C)cc3[nH]2)CC1 ZINC000095388905 535436281 /nfs/dbraw/zinc/43/62/81/535436281.db2.gz AYBWPNXBDSKQEV-INIZCTEOSA-N 2 2 392.551 4.242 50 0 GIAALP Cc1[nH]c(C)c(-c2cccc(C(=O)N(C)[C@H](C[NH+](C)C)c3ccccc3)c2)[nH+]1 ZINC000584901445 570270640 /nfs/dbraw/zinc/27/06/40/570270640.db2.gz UYBPTUZETQTEAH-OAQYLSRUSA-N 2 2 376.504 4.068 50 0 GIAALP Cc1[nH+]ccn1CCc1[nH+]c2cc(NC(=O)c3ccc(Cl)cc3)ccc2n1C ZINC000006665046 570526709 /nfs/dbraw/zinc/52/67/09/570526709.db2.gz DAHJWDWAMVMHTK-UHFFFAOYSA-N 2 2 393.878 4.227 50 0 GIAALP COc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1OCc1ccccc1Cl ZINC000010313996 570568501 /nfs/dbraw/zinc/56/85/01/570568501.db2.gz LIJSOTOYMBFBNM-UHFFFAOYSA-N 2 2 385.895 4.304 50 0 GIAALP COc1ccc(F)c(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c1 ZINC000011763839 570582123 /nfs/dbraw/zinc/58/21/23/570582123.db2.gz JEXKWZVWRFGTKD-LJQANCHMSA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(F)c(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c1 ZINC000011763839 570582124 /nfs/dbraw/zinc/58/21/24/570582124.db2.gz JEXKWZVWRFGTKD-LJQANCHMSA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(F)c(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c1 ZINC000011763839 570582125 /nfs/dbraw/zinc/58/21/25/570582125.db2.gz JEXKWZVWRFGTKD-LJQANCHMSA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(F)c(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c1 ZINC000011763839 570582126 /nfs/dbraw/zinc/58/21/26/570582126.db2.gz JEXKWZVWRFGTKD-LJQANCHMSA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3ccc(F)cc3F)C2)cc1 ZINC000012072537 570603883 /nfs/dbraw/zinc/60/38/83/570603883.db2.gz BVHJSCFCSPCQCK-LJQANCHMSA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3ccc(F)cc3F)C2)cc1 ZINC000012072537 570603884 /nfs/dbraw/zinc/60/38/84/570603884.db2.gz BVHJSCFCSPCQCK-LJQANCHMSA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3ccc(F)cc3F)C2)cc1 ZINC000012072537 570603885 /nfs/dbraw/zinc/60/38/85/570603885.db2.gz BVHJSCFCSPCQCK-LJQANCHMSA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3ccc(F)cc3F)C2)cc1 ZINC000012072537 570603886 /nfs/dbraw/zinc/60/38/86/570603886.db2.gz BVHJSCFCSPCQCK-LJQANCHMSA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(F)cc3F)C2)cc1 ZINC000012072536 570603996 /nfs/dbraw/zinc/60/39/96/570603996.db2.gz BVHJSCFCSPCQCK-IBGZPJMESA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(F)cc3F)C2)cc1 ZINC000012072536 570604001 /nfs/dbraw/zinc/60/40/01/570604001.db2.gz BVHJSCFCSPCQCK-IBGZPJMESA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3ccc(F)cc3F)C2)cc1 ZINC000012072536 570604005 /nfs/dbraw/zinc/60/40/05/570604005.db2.gz BVHJSCFCSPCQCK-IBGZPJMESA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3ccc(F)cc3F)C2)cc1 ZINC000012072536 570604007 /nfs/dbraw/zinc/60/40/07/570604007.db2.gz BVHJSCFCSPCQCK-IBGZPJMESA-N 2 2 388.502 4.360 50 0 GIAALP Cn1cc(C[NH2+]CCCn2cc[nH+]c2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012447579 570667382 /nfs/dbraw/zinc/66/73/82/570667382.db2.gz KCEFQTQCNXZEPO-UHFFFAOYSA-N 2 2 387.487 4.256 50 0 GIAALP Cc1c[nH+]c(C2CCOCC2)n1C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000575547738 823976276 /nfs/dbraw/zinc/97/62/76/823976276.db2.gz UERZRGDMWINYHY-QGZVFWFLSA-N 2 2 389.490 4.276 50 0 GIAALP Cc1c[nH+]c(C2CCOCC2)n1C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000575547738 823976283 /nfs/dbraw/zinc/97/62/83/823976283.db2.gz UERZRGDMWINYHY-QGZVFWFLSA-N 2 2 389.490 4.276 50 0 GIAALP COc1ccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)cc1OC ZINC000000854870 206327723 /nfs/dbraw/zinc/32/77/23/206327723.db2.gz URKRBJWMBXUSAW-UHFFFAOYSA-N 2 2 394.519 4.152 50 0 GIAALP Clc1cccc(C[NH+]2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000019831717 207164386 /nfs/dbraw/zinc/16/43/86/207164386.db2.gz WQKORBCRRHOCDB-UHFFFAOYSA-N 2 2 383.967 4.122 50 0 GIAALP Clc1cccc(CN2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000019831717 207164390 /nfs/dbraw/zinc/16/43/90/207164390.db2.gz WQKORBCRRHOCDB-UHFFFAOYSA-N 2 2 383.967 4.122 50 0 GIAALP c1nc2ccccc2n1-c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000021841285 207239708 /nfs/dbraw/zinc/23/97/08/207239708.db2.gz ZNRVTZXTKBGQQV-JOCHJYFZSA-N 2 2 382.511 4.390 50 0 GIAALP c1nc2ccccc2n1-c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000021841285 207239713 /nfs/dbraw/zinc/23/97/13/207239713.db2.gz ZNRVTZXTKBGQQV-JOCHJYFZSA-N 2 2 382.511 4.390 50 0 GIAALP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000095427831 208182008 /nfs/dbraw/zinc/18/20/08/208182008.db2.gz GKZLCMSFGZNVCS-LJQANCHMSA-N 2 2 397.954 4.081 50 0 GIAALP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000095427831 208182014 /nfs/dbraw/zinc/18/20/14/208182014.db2.gz GKZLCMSFGZNVCS-LJQANCHMSA-N 2 2 397.954 4.081 50 0 GIAALP CCCCN1CCc2[nH+]c[nH]c2C12CC[NH+](CC[C@@H](C)c1ccc(C)o1)CC2 ZINC000095501054 208200552 /nfs/dbraw/zinc/20/05/52/208200552.db2.gz NOGNSTWWQMITHQ-GOSISDBHSA-N 2 2 384.568 4.454 50 0 GIAALP Cc1cc(C)[nH+]c(-c2cccc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)c2)c1 ZINC000299763745 209085442 /nfs/dbraw/zinc/08/54/42/209085442.db2.gz QQNOWKRAUXZJKT-FQEVSTJZSA-N 2 2 379.529 4.460 50 0 GIAALP Cc1[nH+]cc(C[NH2+]Cc2cccnc2Oc2cccc(C(F)(F)F)c2)n1C ZINC000011820415 570586129 /nfs/dbraw/zinc/58/61/29/570586129.db2.gz XTYJYBITFRYMFM-UHFFFAOYSA-N 2 2 376.382 4.224 50 0 GIAALP CC(C)Cc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000012300970 570635831 /nfs/dbraw/zinc/63/58/31/570635831.db2.gz TVPDIWZAKVQGHQ-FQEVSTJZSA-N 2 2 386.559 4.134 50 0 GIAALP CC(C)Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000012300970 570635832 /nfs/dbraw/zinc/63/58/32/570635832.db2.gz TVPDIWZAKVQGHQ-FQEVSTJZSA-N 2 2 386.559 4.134 50 0 GIAALP CC(C)Cc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000012300970 570635833 /nfs/dbraw/zinc/63/58/33/570635833.db2.gz TVPDIWZAKVQGHQ-FQEVSTJZSA-N 2 2 386.559 4.134 50 0 GIAALP CC(C)Cc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000012300970 570635834 /nfs/dbraw/zinc/63/58/34/570635834.db2.gz TVPDIWZAKVQGHQ-FQEVSTJZSA-N 2 2 386.559 4.134 50 0 GIAALP C[N@@H+](Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012301666 570636326 /nfs/dbraw/zinc/63/63/26/570636326.db2.gz MVMJCWGCKIHBBQ-GOSISDBHSA-N 2 2 398.501 4.228 50 0 GIAALP C[N@H+](Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012301666 570636327 /nfs/dbraw/zinc/63/63/27/570636327.db2.gz MVMJCWGCKIHBBQ-GOSISDBHSA-N 2 2 398.501 4.228 50 0 GIAALP C[NH+](Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012301666 570636329 /nfs/dbraw/zinc/63/63/29/570636329.db2.gz MVMJCWGCKIHBBQ-GOSISDBHSA-N 2 2 398.501 4.228 50 0 GIAALP C[NH+](Cc1nc2cc(F)ccc2[nH]1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012301666 570636330 /nfs/dbraw/zinc/63/63/30/570636330.db2.gz MVMJCWGCKIHBBQ-GOSISDBHSA-N 2 2 398.501 4.228 50 0 GIAALP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)n1C ZINC000012434229 570661747 /nfs/dbraw/zinc/66/17/47/570661747.db2.gz JXBSQTJUNWLIBB-QFIPXVFZSA-N 2 2 392.478 4.138 50 0 GIAALP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)n1C ZINC000012434229 570661749 /nfs/dbraw/zinc/66/17/49/570661749.db2.gz JXBSQTJUNWLIBB-QFIPXVFZSA-N 2 2 392.478 4.138 50 0 GIAALP Cc1cc(C)c(-c2[nH+]ccn2[C@@H](C)c2nncn2C)cc1C[NH+]1CCC(C)CC1 ZINC000072134469 570869215 /nfs/dbraw/zinc/86/92/15/570869215.db2.gz KKXYFTKJHCZTEQ-IBGZPJMESA-N 2 2 392.551 4.137 50 0 GIAALP Cc1cc(C)c(-c2[nH+]ccn2[C@H](C)c2nncn2C)cc1C[NH+]1CCC(C)CC1 ZINC000072134470 570869498 /nfs/dbraw/zinc/86/94/98/570869498.db2.gz KKXYFTKJHCZTEQ-LJQANCHMSA-N 2 2 392.551 4.137 50 0 GIAALP CCCCc1[nH]c(CN2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c[nH+]1 ZINC000072156097 570874248 /nfs/dbraw/zinc/87/42/48/570874248.db2.gz WJZUVOCRYJWOHC-QPTUXGOLSA-N 2 2 378.564 4.123 50 0 GIAALP C[C@@H](c1ccc(-c2cccc(OCCn3cc[nH+]c3)c2)cc1)[NH+]1CCOCC1 ZINC000534589516 570905658 /nfs/dbraw/zinc/90/56/58/570905658.db2.gz PWCXUFNUBARIKC-IBGZPJMESA-N 2 2 377.488 4.022 50 0 GIAALP CC(C)(C)[NH2+]CC(=O)Nc1c2c([nH+]c3ccccc31)N(Cc1ccccc1)CC2 ZINC000000755160 206320518 /nfs/dbraw/zinc/32/05/18/206320518.db2.gz BTYNWOQQVVBKAQ-UHFFFAOYSA-N 2 2 388.515 4.124 50 0 GIAALP Cn1c(CNc2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)nc2ccccc21 ZINC000000814088 206323576 /nfs/dbraw/zinc/32/35/76/206323576.db2.gz PZYSBTMCYYXBLI-UHFFFAOYSA-N 2 2 388.519 4.021 50 0 GIAALP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3cccc(F)c3F)C2)cc1 ZINC000014977752 207037275 /nfs/dbraw/zinc/03/72/75/207037275.db2.gz ITZLAMGWMWFIRL-IBGZPJMESA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3cccc(F)c3F)C2)cc1 ZINC000014977752 207037279 /nfs/dbraw/zinc/03/72/79/207037279.db2.gz ITZLAMGWMWFIRL-IBGZPJMESA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3cccc(F)c3F)C2)cc1 ZINC000014977752 207037284 /nfs/dbraw/zinc/03/72/84/207037284.db2.gz ITZLAMGWMWFIRL-IBGZPJMESA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3cccc(F)c3F)C2)cc1 ZINC000014977752 207037289 /nfs/dbraw/zinc/03/72/89/207037289.db2.gz ITZLAMGWMWFIRL-IBGZPJMESA-N 2 2 388.502 4.360 50 0 GIAALP COc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccc(C)o4)C3)C2)c1OC ZINC000014981489 207038315 /nfs/dbraw/zinc/03/83/15/207038315.db2.gz MKRQXDJUTDXHHF-QHCPKHFHSA-N 2 2 384.520 4.093 50 0 GIAALP COc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccc(C)o4)C3)C2)c1OC ZINC000014981489 207038319 /nfs/dbraw/zinc/03/83/19/207038319.db2.gz MKRQXDJUTDXHHF-QHCPKHFHSA-N 2 2 384.520 4.093 50 0 GIAALP COc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccc(C)o4)C3)C2)c1OC ZINC000014981489 207038322 /nfs/dbraw/zinc/03/83/22/207038322.db2.gz MKRQXDJUTDXHHF-QHCPKHFHSA-N 2 2 384.520 4.093 50 0 GIAALP COc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccc(C)o4)C3)C2)c1OC ZINC000014981489 207038326 /nfs/dbraw/zinc/03/83/26/207038326.db2.gz MKRQXDJUTDXHHF-QHCPKHFHSA-N 2 2 384.520 4.093 50 0 GIAALP CCCn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3F)C2)c(C)n1 ZINC000015074395 207047124 /nfs/dbraw/zinc/04/71/24/207047124.db2.gz BZXVWNFOSISHOX-FQEVSTJZSA-N 2 2 386.559 4.127 50 0 GIAALP CCCn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3F)C2)c(C)n1 ZINC000015074395 207047126 /nfs/dbraw/zinc/04/71/26/207047126.db2.gz BZXVWNFOSISHOX-FQEVSTJZSA-N 2 2 386.559 4.127 50 0 GIAALP CCCn1cc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)c(C)n1 ZINC000015074395 207047130 /nfs/dbraw/zinc/04/71/30/207047130.db2.gz BZXVWNFOSISHOX-FQEVSTJZSA-N 2 2 386.559 4.127 50 0 GIAALP CCCn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)c(C)n1 ZINC000015074395 207047135 /nfs/dbraw/zinc/04/71/35/207047135.db2.gz BZXVWNFOSISHOX-FQEVSTJZSA-N 2 2 386.559 4.127 50 0 GIAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)CC1 ZINC000020706474 207210076 /nfs/dbraw/zinc/21/00/76/207210076.db2.gz JOEBNFCEYXLABM-HXUWFJFHSA-N 2 2 380.507 4.482 50 0 GIAALP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)CC1 ZINC000020706474 207210078 /nfs/dbraw/zinc/21/00/78/207210078.db2.gz JOEBNFCEYXLABM-HXUWFJFHSA-N 2 2 380.507 4.482 50 0 GIAALP Clc1ccc(CN2CCC[C@H]([NH2+]C3CC[NH+](Cc4ccco4)CC3)C2)cc1 ZINC000023374068 207276560 /nfs/dbraw/zinc/27/65/60/207276560.db2.gz CIXGHXUXIADCEC-NRFANRHFSA-N 2 2 387.955 4.152 50 0 GIAALP CC(C)c1ncc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)cn1 ZINC000095513288 208214252 /nfs/dbraw/zinc/21/42/52/208214252.db2.gz MRGFGWVDJFZNSO-HXUWFJFHSA-N 2 2 384.543 4.126 50 0 GIAALP CC(C)c1ncc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)cn1 ZINC000095513288 208214259 /nfs/dbraw/zinc/21/42/59/208214259.db2.gz MRGFGWVDJFZNSO-HXUWFJFHSA-N 2 2 384.543 4.126 50 0 GIAALP CC(C)c1ncc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)cn1 ZINC000095513288 208214263 /nfs/dbraw/zinc/21/42/63/208214263.db2.gz MRGFGWVDJFZNSO-HXUWFJFHSA-N 2 2 384.543 4.126 50 0 GIAALP CC(C)c1ncc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)cn1 ZINC000095513288 208214266 /nfs/dbraw/zinc/21/42/66/208214266.db2.gz MRGFGWVDJFZNSO-HXUWFJFHSA-N 2 2 384.543 4.126 50 0 GIAALP Fc1ccc2nc(C[N@@H+]3CCCC34CCN(c3cccc[nH+]3)CC4)ccc2c1 ZINC000072429256 136170051 /nfs/dbraw/zinc/17/00/51/136170051.db2.gz CWOVZSUDJVYYGB-UHFFFAOYSA-N 2 2 376.479 4.404 50 0 GIAALP Fc1ccc2nc(C[N@H+]3CCCC34CCN(c3cccc[nH+]3)CC4)ccc2c1 ZINC000072429256 136170052 /nfs/dbraw/zinc/17/00/52/136170052.db2.gz CWOVZSUDJVYYGB-UHFFFAOYSA-N 2 2 376.479 4.404 50 0 GIAALP Cc1ccc(N[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccn4)CC3)C2)cc1C ZINC000019220327 525313098 /nfs/dbraw/zinc/31/30/98/525313098.db2.gz GPMDVDZQLCUJMZ-HSZRJFAPSA-N 2 2 378.564 4.239 50 0 GIAALP Cc1ccc(N[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccccn4)CC3)C2)cc1C ZINC000019220327 525313110 /nfs/dbraw/zinc/31/31/10/525313110.db2.gz GPMDVDZQLCUJMZ-HSZRJFAPSA-N 2 2 378.564 4.239 50 0 GIAALP Cc1[nH+]c2cc(NC(=O)[C@H](CC(C)C)n3cccc3)ccc2n1CCC[NH+](C)C ZINC000575443031 570313450 /nfs/dbraw/zinc/31/34/50/570313450.db2.gz NBKNJWJLDVVYAN-QFIPXVFZSA-N 2 2 395.551 4.324 50 0 GIAALP Fc1ccccc1N1CC[NH+](C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)CC1 ZINC000004712145 570397156 /nfs/dbraw/zinc/39/71/56/570397156.db2.gz ZPERRVVQFXNOJR-UHFFFAOYSA-N 2 2 392.522 4.094 50 0 GIAALP CCc1oc2ccccc2c1C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000072289906 570482863 /nfs/dbraw/zinc/48/28/63/570482863.db2.gz LOXOHBBCMSIXJK-KRWDZBQOSA-N 2 2 377.488 4.112 50 0 GIAALP COc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Cl)c1OCc1ccccc1 ZINC000010314041 570568380 /nfs/dbraw/zinc/56/83/80/570568380.db2.gz ZBVPXJAKQVSPGD-UHFFFAOYSA-N 2 2 385.895 4.304 50 0 GIAALP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1ccccc1Cl ZINC000010313988 570568415 /nfs/dbraw/zinc/56/84/15/570568415.db2.gz HKLWVHIZWSDLOC-UHFFFAOYSA-N 2 2 385.895 4.304 50 0 GIAALP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cnc(N(C)C)s4)C3)C2)c1 ZINC000011951363 570595847 /nfs/dbraw/zinc/59/58/47/570595847.db2.gz JCBSWKBOEUAZEI-JOCHJYFZSA-N 2 2 384.593 4.006 50 0 GIAALP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cnc(N(C)C)s4)C3)C2)c1 ZINC000011951363 570595848 /nfs/dbraw/zinc/59/58/48/570595848.db2.gz JCBSWKBOEUAZEI-JOCHJYFZSA-N 2 2 384.593 4.006 50 0 GIAALP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cnc(N(C)C)s4)C3)C2)c1 ZINC000011951363 570595849 /nfs/dbraw/zinc/59/58/49/570595849.db2.gz JCBSWKBOEUAZEI-JOCHJYFZSA-N 2 2 384.593 4.006 50 0 GIAALP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cnc(N(C)C)s4)C3)C2)c1 ZINC000011951363 570595850 /nfs/dbraw/zinc/59/58/50/570595850.db2.gz JCBSWKBOEUAZEI-JOCHJYFZSA-N 2 2 384.593 4.006 50 0 GIAALP COc1cccc(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000055242620 570688297 /nfs/dbraw/zinc/68/82/97/570688297.db2.gz YJBTXFWAIRYWDA-QFIPXVFZSA-N 2 2 392.543 4.255 50 0 GIAALP COc1cccc(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000055242620 570688301 /nfs/dbraw/zinc/68/83/01/570688301.db2.gz YJBTXFWAIRYWDA-QFIPXVFZSA-N 2 2 392.543 4.255 50 0 GIAALP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cccc5c4OCO5)C3)C2)c1 ZINC000015066457 818286664 /nfs/dbraw/zinc/28/66/64/818286664.db2.gz MFFJMIIMLHBERY-DEOSSOPVSA-N 2 2 378.516 4.212 50 0 GIAALP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cccc5c4OCO5)C3)C2)c1 ZINC000015066457 818286676 /nfs/dbraw/zinc/28/66/76/818286676.db2.gz MFFJMIIMLHBERY-DEOSSOPVSA-N 2 2 378.516 4.212 50 0 GIAALP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cccc5c4OCO5)C3)C2)c1 ZINC000015066457 818286685 /nfs/dbraw/zinc/28/66/85/818286685.db2.gz MFFJMIIMLHBERY-DEOSSOPVSA-N 2 2 378.516 4.212 50 0 GIAALP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cccc5c4OCO5)C3)C2)c1 ZINC000015066457 818286693 /nfs/dbraw/zinc/28/66/93/818286693.db2.gz MFFJMIIMLHBERY-DEOSSOPVSA-N 2 2 378.516 4.212 50 0 GIAALP Cc1c[nH]c(CC[NH2+]Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)[nH+]1 ZINC000019227326 207109412 /nfs/dbraw/zinc/10/94/12/207109412.db2.gz HMDXNSVTXGXPMB-UHFFFAOYSA-N 2 2 387.487 4.243 50 0 GIAALP Clc1ccc(CN2CCC[C@@H]([NH2+]C3CC[NH+](Cc4ccco4)CC3)C2)cc1 ZINC000023374065 207276595 /nfs/dbraw/zinc/27/65/95/207276595.db2.gz CIXGHXUXIADCEC-OAQYLSRUSA-N 2 2 387.955 4.152 50 0 GIAALP CC(C)CN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1ccc3occc3c1)CC2 ZINC000091444832 208119797 /nfs/dbraw/zinc/11/97/97/208119797.db2.gz OYZHCVCEEGPGSR-UHFFFAOYSA-N 2 2 378.520 4.161 50 0 GIAALP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2cccc(Cl)c2)C[C@@H]1C ZINC000095451014 208184690 /nfs/dbraw/zinc/18/46/90/208184690.db2.gz XTGAMMLNBCQPQQ-QBRMMOJRSA-N 2 2 392.971 4.290 50 0 GIAALP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccc(Cl)c2)C[C@@H]1C ZINC000095451014 208184696 /nfs/dbraw/zinc/18/46/96/208184696.db2.gz XTGAMMLNBCQPQQ-QBRMMOJRSA-N 2 2 392.971 4.290 50 0 GIAALP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(F)cc3)o2)cc1 ZINC000095462681 208189018 /nfs/dbraw/zinc/18/90/18/208189018.db2.gz OTKVBJOGCYMMLR-CQSZACIVSA-N 2 2 377.423 4.221 50 0 GIAALP c1cn(Cc2cscn2)c([C@@H]2CCCN(c3ccc4c([nH+]3)CCCC4)C2)[nH+]1 ZINC000095525179 136181498 /nfs/dbraw/zinc/18/14/98/136181498.db2.gz ZODXTGYWKLJVPD-QGZVFWFLSA-N 2 2 379.533 4.046 50 0 GIAALP CCCCN(CCCC)C(=O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072305006 570515175 /nfs/dbraw/zinc/51/51/75/570515175.db2.gz ZLKXEWNBEQTOHY-UHFFFAOYSA-N 2 2 388.600 4.049 50 0 GIAALP CCCCN(CCCC)C(=O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072305006 570515176 /nfs/dbraw/zinc/51/51/76/570515176.db2.gz ZLKXEWNBEQTOHY-UHFFFAOYSA-N 2 2 388.600 4.049 50 0 GIAALP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1ccc(Cl)cc1 ZINC000010313987 570568348 /nfs/dbraw/zinc/56/83/48/570568348.db2.gz PVPWHIXHOCYTPO-UHFFFAOYSA-N 2 2 385.895 4.304 50 0 GIAALP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000011753572 570580952 /nfs/dbraw/zinc/58/09/52/570580952.db2.gz YRCIMTLLYIXAQJ-FQEVSTJZSA-N 2 2 378.516 4.468 50 0 GIAALP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000011753572 570580954 /nfs/dbraw/zinc/58/09/54/570580954.db2.gz YRCIMTLLYIXAQJ-FQEVSTJZSA-N 2 2 378.516 4.468 50 0 GIAALP Cc1cccc(COc2ccc(Br)cc2C[NH2+]CCC[NH+](C)C)c1 ZINC000040720377 570605213 /nfs/dbraw/zinc/60/52/13/570605213.db2.gz DYRHWSVKOUSOIH-UHFFFAOYSA-N 2 2 391.353 4.378 50 0 GIAALP CCCCc1[nH]c(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c[nH+]1 ZINC000012317108 570641739 /nfs/dbraw/zinc/64/17/39/570641739.db2.gz OMMLCHIHEFZWIF-FQEVSTJZSA-N 2 2 386.559 4.278 50 0 GIAALP CCCCc1[nH]c(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c[nH+]1 ZINC000012317108 570641742 /nfs/dbraw/zinc/64/17/42/570641742.db2.gz OMMLCHIHEFZWIF-FQEVSTJZSA-N 2 2 386.559 4.278 50 0 GIAALP c1cn(CCCCOc2ccccc2C[N@@H+]2CCC[C@H]2c2ccccn2)c[nH+]1 ZINC000055108528 570683520 /nfs/dbraw/zinc/68/35/20/570683520.db2.gz BKGPERSHHRGXKF-QFIPXVFZSA-N 2 2 376.504 4.474 50 0 GIAALP c1cn(CCCCOc2ccccc2C[N@H+]2CCC[C@H]2c2ccccn2)c[nH+]1 ZINC000055108528 570683522 /nfs/dbraw/zinc/68/35/22/570683522.db2.gz BKGPERSHHRGXKF-QFIPXVFZSA-N 2 2 376.504 4.474 50 0 GIAALP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000067673243 570785436 /nfs/dbraw/zinc/78/54/36/570785436.db2.gz OAOKIILEDPEIRE-MRXNPFEDSA-N 2 2 379.426 4.203 50 0 GIAALP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000067673243 570785439 /nfs/dbraw/zinc/78/54/39/570785439.db2.gz OAOKIILEDPEIRE-MRXNPFEDSA-N 2 2 379.426 4.203 50 0 GIAALP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000067673243 570785442 /nfs/dbraw/zinc/78/54/42/570785442.db2.gz OAOKIILEDPEIRE-MRXNPFEDSA-N 2 2 379.426 4.203 50 0 GIAALP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000067673243 570785445 /nfs/dbraw/zinc/78/54/45/570785445.db2.gz OAOKIILEDPEIRE-MRXNPFEDSA-N 2 2 379.426 4.203 50 0 GIAALP C[C@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012560217 570862406 /nfs/dbraw/zinc/86/24/06/570862406.db2.gz YDLTTXRVPYOILR-WMZHIEFXSA-N 2 2 388.515 4.277 50 0 GIAALP Cc1c[nH+]c(C2CCOCC2)n1C[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000575547737 823976396 /nfs/dbraw/zinc/97/63/96/823976396.db2.gz UERZRGDMWINYHY-KRWDZBQOSA-N 2 2 389.490 4.276 50 0 GIAALP Cc1c[nH+]c(C2CCOCC2)n1C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000575547737 823976398 /nfs/dbraw/zinc/97/63/98/823976398.db2.gz UERZRGDMWINYHY-KRWDZBQOSA-N 2 2 389.490 4.276 50 0 GIAALP COc1cccc(C[N@@H+]2CCC[C@@H](Cn3c(C)c[nH+]c3-c3ccccc3)C2)n1 ZINC000575547628 823976663 /nfs/dbraw/zinc/97/66/63/823976663.db2.gz NLCSQPNYOIAOMR-LJQANCHMSA-N 2 2 376.504 4.174 50 0 GIAALP COc1cccc(C[N@H+]2CCC[C@@H](Cn3c(C)c[nH+]c3-c3ccccc3)C2)n1 ZINC000575547628 823976671 /nfs/dbraw/zinc/97/66/71/823976671.db2.gz NLCSQPNYOIAOMR-LJQANCHMSA-N 2 2 376.504 4.174 50 0 GIAALP Cc1ccc(/C=C/C(=O)NCC[NH+]2CCC([N@@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000020241344 207184506 /nfs/dbraw/zinc/18/45/06/207184506.db2.gz LUHSUUOGVHQADD-VQMHNJBBSA-N 2 2 397.607 4.099 50 0 GIAALP Cc1ccc(/C=C/C(=O)NCC[NH+]2CCC([N@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000020241344 207184510 /nfs/dbraw/zinc/18/45/10/207184510.db2.gz LUHSUUOGVHQADD-VQMHNJBBSA-N 2 2 397.607 4.099 50 0 GIAALP CCc1c(C)[nH+]c(C)nc1NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082098891 208079523 /nfs/dbraw/zinc/07/95/23/208079523.db2.gz WMPOVEJWUCWHTC-UHFFFAOYSA-N 2 2 382.556 4.003 50 0 GIAALP CCc1c(C)[nH+]c(C)nc1NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082098891 208079530 /nfs/dbraw/zinc/07/95/30/208079530.db2.gz WMPOVEJWUCWHTC-UHFFFAOYSA-N 2 2 382.556 4.003 50 0 GIAALP Cc1cc(N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)nc(C(C)C)[nH+]1 ZINC000072159461 136167360 /nfs/dbraw/zinc/16/73/60/136167360.db2.gz PRFPNNFCZZIOPL-OAQYLSRUSA-N 2 2 393.579 4.008 50 0 GIAALP c1cn(Cc2cscn2)c([C@H]2CCCN(c3ccc4c([nH+]3)CCCC4)C2)[nH+]1 ZINC000095525178 136181429 /nfs/dbraw/zinc/18/14/29/136181429.db2.gz ZODXTGYWKLJVPD-KRWDZBQOSA-N 2 2 379.533 4.046 50 0 GIAALP C[NH+](C)CCn1cc[nH+]c1[C@@H]1CCCN(c2ccc3cccc(Cl)c3n2)C1 ZINC000095500698 535936985 /nfs/dbraw/zinc/93/69/85/535936985.db2.gz MNNNYZDLANWXKU-QGZVFWFLSA-N 2 2 383.927 4.030 50 0 GIAALP CC(C)c1nccc(C[N@@H+]2CCC[C@]3(CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000215535473 570289702 /nfs/dbraw/zinc/28/97/02/570289702.db2.gz IJKHPTSRNAUSQK-DEOSSOPVSA-N 2 2 378.564 4.478 50 0 GIAALP CC(C)c1nccc(C[N@H+]2CCC[C@]3(CCC[NH+](Cc4ccccc4)C3)C2)n1 ZINC000215535473 570289705 /nfs/dbraw/zinc/28/97/05/570289705.db2.gz IJKHPTSRNAUSQK-DEOSSOPVSA-N 2 2 378.564 4.478 50 0 GIAALP CC(C)c1nccc(C[NH+]2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)n1 ZINC000215535473 570289708 /nfs/dbraw/zinc/28/97/08/570289708.db2.gz IJKHPTSRNAUSQK-DEOSSOPVSA-N 2 2 378.564 4.478 50 0 GIAALP CC(C)c1nccc(C[NH+]2CCC[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000215535473 570289710 /nfs/dbraw/zinc/28/97/10/570289710.db2.gz IJKHPTSRNAUSQK-DEOSSOPVSA-N 2 2 378.564 4.478 50 0 GIAALP COc1ccccc1N1CC[NH+](C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000004703450 570395233 /nfs/dbraw/zinc/39/52/33/570395233.db2.gz RWUBMOVNJMETCZ-UHFFFAOYSA-N 2 2 399.966 4.135 50 0 GIAALP Cc1[nH+]ccn1CCc1[nH+]c2cc(NC(=O)c3ccccc3Cl)ccc2n1C ZINC000006665107 570526692 /nfs/dbraw/zinc/52/66/92/570526692.db2.gz AQNXRWYZFZOFDI-UHFFFAOYSA-N 2 2 393.878 4.227 50 0 GIAALP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3cc(CC(C)C)n[nH]3)C2)cc1 ZINC000011936275 570594045 /nfs/dbraw/zinc/59/40/45/570594045.db2.gz CEAGEJIYAWAGTP-OAQYLSRUSA-N 2 2 398.595 4.003 50 0 GIAALP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3cc(CC(C)C)n[nH]3)C2)cc1 ZINC000011936275 570594048 /nfs/dbraw/zinc/59/40/48/570594048.db2.gz CEAGEJIYAWAGTP-OAQYLSRUSA-N 2 2 398.595 4.003 50 0 GIAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3cc(CC(C)C)n[nH]3)C2)cc1 ZINC000011936275 570594050 /nfs/dbraw/zinc/59/40/50/570594050.db2.gz CEAGEJIYAWAGTP-OAQYLSRUSA-N 2 2 398.595 4.003 50 0 GIAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3cc(CC(C)C)n[nH]3)C2)cc1 ZINC000011936275 570594052 /nfs/dbraw/zinc/59/40/52/570594052.db2.gz CEAGEJIYAWAGTP-OAQYLSRUSA-N 2 2 398.595 4.003 50 0 GIAALP COc1ccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)c(OC)c1 ZINC000002382594 817386543 /nfs/dbraw/zinc/38/65/43/817386543.db2.gz VUYAHXCPCFREIL-UHFFFAOYSA-N 2 2 394.519 4.152 50 0 GIAALP CCOC(=O)C1(CC2CC2)CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000012459759 818161918 /nfs/dbraw/zinc/16/19/18/818161918.db2.gz CEUUBUPCIQSIBS-UHFFFAOYSA-N 2 2 384.564 4.096 50 0 GIAALP COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cccs4)C3)C2)c1OC ZINC000020454477 818622163 /nfs/dbraw/zinc/62/21/63/818622163.db2.gz NYUDFZQPHBHPOI-JOCHJYFZSA-N 2 2 386.561 4.253 50 0 GIAALP COc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cccs4)C3)C2)c1OC ZINC000020454477 818622168 /nfs/dbraw/zinc/62/21/68/818622168.db2.gz NYUDFZQPHBHPOI-JOCHJYFZSA-N 2 2 386.561 4.253 50 0 GIAALP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)c1OC ZINC000020454477 818622171 /nfs/dbraw/zinc/62/21/71/818622171.db2.gz NYUDFZQPHBHPOI-JOCHJYFZSA-N 2 2 386.561 4.253 50 0 GIAALP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cccs4)C3)C2)c1OC ZINC000020454477 818622177 /nfs/dbraw/zinc/62/21/77/818622177.db2.gz NYUDFZQPHBHPOI-JOCHJYFZSA-N 2 2 386.561 4.253 50 0 GIAALP Fc1ccc(Nc2ncc(C[N@@H+]3CCC[C@@H](Cn4cc[nH+]c4)C3)s2)c(F)c1 ZINC000023340430 818924133 /nfs/dbraw/zinc/92/41/33/818924133.db2.gz YWVWFLHZTUQFNJ-CQSZACIVSA-N 2 2 389.475 4.274 50 0 GIAALP Fc1ccc(Nc2ncc(C[N@H+]3CCC[C@@H](Cn4cc[nH+]c4)C3)s2)c(F)c1 ZINC000023340430 818924140 /nfs/dbraw/zinc/92/41/40/818924140.db2.gz YWVWFLHZTUQFNJ-CQSZACIVSA-N 2 2 389.475 4.274 50 0 GIAALP COc1ccc2c(c1)CCC[C@H]2[NH+]1CC(Cn2c(C)c[nH+]c2-c2ccncc2)C1 ZINC000575548922 823976616 /nfs/dbraw/zinc/97/66/16/823976616.db2.gz FMWIBJXRZYWAPC-HSZRJFAPSA-N 2 2 388.515 4.272 50 0 GIAALP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)cc(Cl)c1O ZINC000055133646 209112499 /nfs/dbraw/zinc/11/24/99/209112499.db2.gz RSUHQZIEPNTZEA-OAQYLSRUSA-N 2 2 378.944 4.142 50 0 GIAALP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCC2)C3)cc(Cl)c1O ZINC000055133646 209112503 /nfs/dbraw/zinc/11/25/03/209112503.db2.gz RSUHQZIEPNTZEA-OAQYLSRUSA-N 2 2 378.944 4.142 50 0 GIAALP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)cc(Cl)c1O ZINC000055133646 209112506 /nfs/dbraw/zinc/11/25/06/209112506.db2.gz RSUHQZIEPNTZEA-OAQYLSRUSA-N 2 2 378.944 4.142 50 0 GIAALP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)cc(Cl)c1O ZINC000055133646 209112508 /nfs/dbraw/zinc/11/25/08/209112508.db2.gz RSUHQZIEPNTZEA-OAQYLSRUSA-N 2 2 378.944 4.142 50 0 GIAALP CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccc(OC)c(OC)c3)[nH+]c21 ZINC000000834163 206326437 /nfs/dbraw/zinc/32/64/37/206326437.db2.gz QCPDMMHRRCVZLY-UHFFFAOYSA-N 2 2 392.503 4.315 50 0 GIAALP CCCCc1[nH]c(C[NH+]2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)c[nH+]1 ZINC000015078155 207046339 /nfs/dbraw/zinc/04/63/39/207046339.db2.gz LSJHKCPZJNUBHF-UHFFFAOYSA-N 2 2 396.579 4.403 50 0 GIAALP Fc1ccc(-c2ccc(C[NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)o2)cc1 ZINC000017318235 207090015 /nfs/dbraw/zinc/09/00/15/207090015.db2.gz YEEKXYIRQJXYEO-UHFFFAOYSA-N 2 2 380.463 4.208 50 0 GIAALP Clc1ccc(C[NH+]2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000019361678 207118577 /nfs/dbraw/zinc/11/85/77/207118577.db2.gz FGSRSMKVYINSSC-UHFFFAOYSA-N 2 2 383.967 4.122 50 0 GIAALP Clc1ccc(CN2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000019361678 207118582 /nfs/dbraw/zinc/11/85/82/207118582.db2.gz FGSRSMKVYINSSC-UHFFFAOYSA-N 2 2 383.967 4.122 50 0 GIAALP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000020514656 207200422 /nfs/dbraw/zinc/20/04/22/207200422.db2.gz GCGLEWATFRVLAL-QGZVFWFLSA-N 2 2 382.470 4.473 50 0 GIAALP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000020514656 207200424 /nfs/dbraw/zinc/20/04/24/207200424.db2.gz GCGLEWATFRVLAL-QGZVFWFLSA-N 2 2 382.470 4.473 50 0 GIAALP CCc1[nH]c(C[NH+]2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)c(C)[nH+]1 ZINC000020997452 207222442 /nfs/dbraw/zinc/22/24/42/207222442.db2.gz JOSHXSCOZYPRGY-UHFFFAOYSA-N 2 2 395.469 4.117 50 0 GIAALP CCc1ccccc1NC(=O)C[NH+]1CCC(Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000038488537 207306637 /nfs/dbraw/zinc/30/66/37/207306637.db2.gz GLVTZEPLHNCTHQ-UHFFFAOYSA-N 2 2 390.531 4.258 50 0 GIAALP Clc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000026309207 207312401 /nfs/dbraw/zinc/31/24/01/207312401.db2.gz VAZGSHOHGTXTKP-UHFFFAOYSA-N 2 2 377.879 4.179 50 0 GIAALP COc1ccc([C@H](CNc2cc(C)[nH+]c3ccccc23)[NH+]2CCOCC2)cc1 ZINC000089583116 208107954 /nfs/dbraw/zinc/10/79/54/208107954.db2.gz LYGSOJWPYOHEEL-QHCPKHFHSA-N 2 2 377.488 4.037 50 0 GIAALP CC(C)CN1CCc2[nH+]c[nH]c2C12CC[NH+](C/C=C/c1ccc(F)cc1)CC2 ZINC000095517546 208216791 /nfs/dbraw/zinc/21/67/91/208216791.db2.gz ZCNRFSVGIGALJZ-ONEGZZNKSA-N 2 2 382.527 4.067 50 0 GIAALP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)c1nnc(-c2ccc(F)cc2)o1 ZINC000012932572 570303279 /nfs/dbraw/zinc/30/32/79/570303279.db2.gz WRJHMUUWCFGJJL-INIZCTEOSA-N 2 2 380.467 4.322 50 0 GIAALP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2cccc(-c3ccc(F)cc3)c2)n1C ZINC000011935711 570593478 /nfs/dbraw/zinc/59/34/78/570593478.db2.gz WUUQNDPMZOTHTL-JOCHJYFZSA-N 2 2 392.478 4.138 50 0 GIAALP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2C(=O)Nc2cccc(-c3ccc(F)cc3)c2)n1C ZINC000011935711 570593481 /nfs/dbraw/zinc/59/34/81/570593481.db2.gz WUUQNDPMZOTHTL-JOCHJYFZSA-N 2 2 392.478 4.138 50 0 GIAALP Cc1ccccc1COc1ccc(Br)cc1C[NH2+]CCC[NH+](C)C ZINC000040720386 570605461 /nfs/dbraw/zinc/60/54/61/570605461.db2.gz ARZWUZINFKIXBN-UHFFFAOYSA-N 2 2 391.353 4.378 50 0 GIAALP CN(C)c1ncc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCCCC2)C3)s1 ZINC000012304259 570638170 /nfs/dbraw/zinc/63/81/70/570638170.db2.gz ZSYABBQRFQAEAL-OAQYLSRUSA-N 2 2 376.614 4.077 50 0 GIAALP CN(C)c1ncc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCCCC2)C3)s1 ZINC000012304259 570638172 /nfs/dbraw/zinc/63/81/72/570638172.db2.gz ZSYABBQRFQAEAL-OAQYLSRUSA-N 2 2 376.614 4.077 50 0 GIAALP CN(C)c1ncc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)s1 ZINC000012304259 570638174 /nfs/dbraw/zinc/63/81/74/570638174.db2.gz ZSYABBQRFQAEAL-OAQYLSRUSA-N 2 2 376.614 4.077 50 0 GIAALP CN(C)c1ncc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)s1 ZINC000012304259 570638177 /nfs/dbraw/zinc/63/81/77/570638177.db2.gz ZSYABBQRFQAEAL-OAQYLSRUSA-N 2 2 376.614 4.077 50 0 GIAALP Cc1[nH+]ccn1CC[N@@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067774625 570790695 /nfs/dbraw/zinc/79/06/95/570790695.db2.gz MVJFXNDSUKLSEM-UHFFFAOYSA-N 2 2 383.499 4.307 50 0 GIAALP Cc1[nH+]ccn1CC[N@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067774625 570790696 /nfs/dbraw/zinc/79/06/96/570790696.db2.gz MVJFXNDSUKLSEM-UHFFFAOYSA-N 2 2 383.499 4.307 50 0 GIAALP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2F)C3)cc1 ZINC000012572422 818166853 /nfs/dbraw/zinc/16/68/53/818166853.db2.gz KEMRLEWHEHQIGG-DEOSSOPVSA-N 2 2 395.522 4.272 50 0 GIAALP CC(=O)Nc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2F)C3)cc1 ZINC000012572422 818166858 /nfs/dbraw/zinc/16/68/58/818166858.db2.gz KEMRLEWHEHQIGG-DEOSSOPVSA-N 2 2 395.522 4.272 50 0 GIAALP CC(=O)Nc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)cc1 ZINC000012572422 818166864 /nfs/dbraw/zinc/16/68/64/818166864.db2.gz KEMRLEWHEHQIGG-DEOSSOPVSA-N 2 2 395.522 4.272 50 0 GIAALP CC(=O)Nc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)cc1 ZINC000012572422 818166868 /nfs/dbraw/zinc/16/68/68/818166868.db2.gz KEMRLEWHEHQIGG-DEOSSOPVSA-N 2 2 395.522 4.272 50 0 GIAALP CC(=O)c1cccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c1 ZINC000012702289 818176823 /nfs/dbraw/zinc/17/68/23/818176823.db2.gz GWJJAIDELOLDEJ-JOCHJYFZSA-N 2 2 382.523 4.415 50 0 GIAALP CC(=O)c1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c1 ZINC000012702289 818176826 /nfs/dbraw/zinc/17/68/26/818176826.db2.gz GWJJAIDELOLDEJ-JOCHJYFZSA-N 2 2 382.523 4.415 50 0 GIAALP CC(=O)c1cccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c1 ZINC000012702289 818176828 /nfs/dbraw/zinc/17/68/28/818176828.db2.gz GWJJAIDELOLDEJ-JOCHJYFZSA-N 2 2 382.523 4.415 50 0 GIAALP CC(=O)c1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c1 ZINC000012702289 818176831 /nfs/dbraw/zinc/17/68/31/818176831.db2.gz GWJJAIDELOLDEJ-JOCHJYFZSA-N 2 2 382.523 4.415 50 0 GIAALP COc1ccc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1F ZINC000012801926 210010589 /nfs/dbraw/zinc/01/05/89/210010589.db2.gz CTIIIRWATWQWPB-UHFFFAOYSA-N 2 2 385.870 4.358 50 0 GIAALP Cc1cc(C)[nH+]c(-c2cccc(C(=O)NC[C@H](c3cccs3)[NH+](C)C)c2)c1 ZINC000299763746 212033738 /nfs/dbraw/zinc/03/37/38/212033738.db2.gz QQNOWKRAUXZJKT-HXUWFJFHSA-N 2 2 379.529 4.460 50 0 GIAALP COc1cc(C[NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCCC2)cc(OC)c1OC ZINC000097002545 211355187 /nfs/dbraw/zinc/35/51/87/211355187.db2.gz IBZPQMVCKGFSEO-GOSISDBHSA-N 2 2 398.547 4.466 50 0 GIAALP Cc1[nH]c(C[N@H+](C)CC2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)c[nH+]1 ZINC000095496766 211251312 /nfs/dbraw/zinc/25/13/12/211251312.db2.gz MIVLGDZTZMNKLL-UHFFFAOYSA-N 3 2 394.485 4.123 50 0 GIAALP Cc1[nH]c(C[N@@H+](C)CC2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)c[nH+]1 ZINC000095496766 211251317 /nfs/dbraw/zinc/25/13/17/211251317.db2.gz MIVLGDZTZMNKLL-UHFFFAOYSA-N 3 2 394.485 4.123 50 0 GIAALP Clc1ccc(OCCCn2cc[nH+]c2)c(C[NH+]2CC(c3ccccn3)C2)c1 ZINC000072129762 211072229 /nfs/dbraw/zinc/07/22/29/211072229.db2.gz TUYXEXYGYRMWKO-UHFFFAOYSA-N 2 2 382.895 4.000 50 0 GIAALP CCCOc1c(Br)cc(C[NH2+]CCCn2cc[nH+]c2)cc1OCC ZINC000020932585 210370761 /nfs/dbraw/zinc/37/07/61/210370761.db2.gz HCOKZIMHKPZVQD-UHFFFAOYSA-N 2 2 396.329 4.013 50 0 GIAALP Cc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2nc3ccccc3n2C)C1 ZINC000011820150 221128797 /nfs/dbraw/zinc/12/87/97/221128797.db2.gz XLMVBBFPNVATRS-NRFANRHFSA-N 2 2 390.575 4.268 50 0 GIAALP Cc1ccccc1CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2nc3ccccc3n2C)C1 ZINC000011820150 221128801 /nfs/dbraw/zinc/12/88/01/221128801.db2.gz XLMVBBFPNVATRS-NRFANRHFSA-N 2 2 390.575 4.268 50 0 GIAALP Cc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2nc3ccccc3n2C)C1 ZINC000011820150 221128803 /nfs/dbraw/zinc/12/88/03/221128803.db2.gz XLMVBBFPNVATRS-NRFANRHFSA-N 2 2 390.575 4.268 50 0 GIAALP Cc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2nc3ccccc3n2C)C1 ZINC000011820150 221128805 /nfs/dbraw/zinc/12/88/05/221128805.db2.gz XLMVBBFPNVATRS-NRFANRHFSA-N 2 2 390.575 4.268 50 0 GIAALP c1cn(CCCCOc2ccccc2C[N@@H+]2CCC[C@@H]2c2ccccn2)c[nH+]1 ZINC000055108525 570683606 /nfs/dbraw/zinc/68/36/06/570683606.db2.gz BKGPERSHHRGXKF-JOCHJYFZSA-N 2 2 376.504 4.474 50 0 GIAALP c1cn(CCCCOc2ccccc2C[N@H+]2CCC[C@@H]2c2ccccn2)c[nH+]1 ZINC000055108525 570683607 /nfs/dbraw/zinc/68/36/07/570683607.db2.gz BKGPERSHHRGXKF-JOCHJYFZSA-N 2 2 376.504 4.474 50 0 GIAALP Cc1c[nH]c(CC[NH2+]Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)[nH+]1 ZINC000012317642 818154329 /nfs/dbraw/zinc/15/43/29/818154329.db2.gz HPCNPINQJCPDCV-UHFFFAOYSA-N 2 2 389.478 4.351 50 0 GIAALP CC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)CC1 ZINC000015065295 210144563 /nfs/dbraw/zinc/14/45/63/210144563.db2.gz IRZBXVLLMGKHFG-NRFANRHFSA-N 2 2 380.532 4.227 50 0 GIAALP CC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)CC1 ZINC000015065295 210144566 /nfs/dbraw/zinc/14/45/66/210144566.db2.gz IRZBXVLLMGKHFG-NRFANRHFSA-N 2 2 380.532 4.227 50 0 GIAALP Cc1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2F)C3)nc1C ZINC000015062906 210144678 /nfs/dbraw/zinc/14/46/78/210144678.db2.gz WZMMMDQZBLASAD-HSZRJFAPSA-N 2 2 382.527 4.029 50 0 GIAALP Cc1nc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2F)C3)nc1C ZINC000015062906 210144681 /nfs/dbraw/zinc/14/46/81/210144681.db2.gz WZMMMDQZBLASAD-HSZRJFAPSA-N 2 2 382.527 4.029 50 0 GIAALP Cc1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)nc1C ZINC000015062906 210144686 /nfs/dbraw/zinc/14/46/86/210144686.db2.gz WZMMMDQZBLASAD-HSZRJFAPSA-N 2 2 382.527 4.029 50 0 GIAALP Cc1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)nc1C ZINC000015062906 210144688 /nfs/dbraw/zinc/14/46/88/210144688.db2.gz WZMMMDQZBLASAD-HSZRJFAPSA-N 2 2 382.527 4.029 50 0 GIAALP COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccc(C)o4)C3)C2)c1OC ZINC000014981487 210139227 /nfs/dbraw/zinc/13/92/27/210139227.db2.gz MKRQXDJUTDXHHF-HSZRJFAPSA-N 2 2 384.520 4.093 50 0 GIAALP COc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccc(C)o4)C3)C2)c1OC ZINC000014981487 210139229 /nfs/dbraw/zinc/13/92/29/210139229.db2.gz MKRQXDJUTDXHHF-HSZRJFAPSA-N 2 2 384.520 4.093 50 0 GIAALP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccc(C)o4)C3)C2)c1OC ZINC000014981487 210139233 /nfs/dbraw/zinc/13/92/33/210139233.db2.gz MKRQXDJUTDXHHF-HSZRJFAPSA-N 2 2 384.520 4.093 50 0 GIAALP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccc(C)o4)C3)C2)c1OC ZINC000014981487 210139235 /nfs/dbraw/zinc/13/92/35/210139235.db2.gz MKRQXDJUTDXHHF-HSZRJFAPSA-N 2 2 384.520 4.093 50 0 GIAALP COc1ccc(OC)c(CNc2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)c1 ZINC000002387272 209360307 /nfs/dbraw/zinc/36/03/07/209360307.db2.gz SXXXSTPMDGKOCH-UHFFFAOYSA-N 2 2 394.519 4.152 50 0 GIAALP CCOc1ccccc1C[NH+]1CCC([NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000004712138 570397108 /nfs/dbraw/zinc/39/71/08/570397108.db2.gz JXTZQKXNYKJNGK-UHFFFAOYSA-N 2 2 397.538 4.011 50 0 GIAALP O=C(Nc1cccc(C[NH2+]CCn2cc[nH+]c2)c1)c1ccc(Cl)cc1Cl ZINC000026309169 570424361 /nfs/dbraw/zinc/42/43/61/570424361.db2.gz BIVVHCPGRRJHDY-UHFFFAOYSA-N 2 2 389.286 4.232 50 0 GIAALP Cc1nc2ccccn2c1C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000012576485 570875273 /nfs/dbraw/zinc/87/52/73/570875273.db2.gz PVFCBIRLTQDHKT-UHFFFAOYSA-N 2 2 391.906 4.167 50 0 GIAALP COc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2c[nH+]c(C)[nH]2)CC(C)C)CC1 ZINC000015065969 210148392 /nfs/dbraw/zinc/14/83/92/210148392.db2.gz CVQIVHYVFXLLBQ-UHFFFAOYSA-N 3 2 384.568 4.097 50 0 GIAALP COc1ccccc1C[NH+]1CCC(C[N@H+](Cc2c[nH+]c(C)[nH]2)CC(C)C)CC1 ZINC000015065969 210148396 /nfs/dbraw/zinc/14/83/96/210148396.db2.gz CVQIVHYVFXLLBQ-UHFFFAOYSA-N 3 2 384.568 4.097 50 0 GIAALP Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](CCCn2cc[nH+]c2C)CCO3)s1 ZINC000067975279 211031960 /nfs/dbraw/zinc/03/19/60/211031960.db2.gz ZTAGBYDNNHTHMH-UHFFFAOYSA-N 2 2 383.517 4.219 50 0 GIAALP Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](CCCn2cc[nH+]c2C)CCO3)s1 ZINC000067975279 211031958 /nfs/dbraw/zinc/03/19/58/211031958.db2.gz ZTAGBYDNNHTHMH-UHFFFAOYSA-N 2 2 383.517 4.219 50 0 GIAALP Clc1ccc(-c2n[nH]c3c2C[N@@H+](C2CC[NH+](Cc4ccco4)CC2)CC3)cc1 ZINC000011820293 221129736 /nfs/dbraw/zinc/12/97/36/221129736.db2.gz JUPBPZNLYOYTOZ-UHFFFAOYSA-N 2 2 396.922 4.346 50 0 GIAALP Clc1ccc(-c2n[nH]c3c2C[N@H+](C2CC[NH+](Cc4ccco4)CC2)CC3)cc1 ZINC000011820293 221129737 /nfs/dbraw/zinc/12/97/37/221129737.db2.gz JUPBPZNLYOYTOZ-UHFFFAOYSA-N 2 2 396.922 4.346 50 0 GIAALP Cc1cc(N2CCC([NH2+]C[C@H](c3ccccc3C)N(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000095527551 136181713 /nfs/dbraw/zinc/18/17/13/136181713.db2.gz TWMHCRJHLMCIFV-JOCHJYFZSA-N 2 2 395.595 4.078 50 0 GIAALP CC(C)c1ccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCOCC2)cc1 ZINC000005054365 570218472 /nfs/dbraw/zinc/21/84/72/570218472.db2.gz UWMDMQWURGGNGP-UHFFFAOYSA-N 2 2 378.520 4.104 50 0 GIAALP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccc(Cl)c2)C[C@@H]1C ZINC000252513171 570982629 /nfs/dbraw/zinc/98/26/29/570982629.db2.gz XTGAMMLNBCQPQQ-KXEYLTKFSA-N 2 2 392.971 4.290 50 0 GIAALP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccc(Cl)c2)C[C@@H]1C ZINC000252513171 570982634 /nfs/dbraw/zinc/98/26/34/570982634.db2.gz XTGAMMLNBCQPQQ-KXEYLTKFSA-N 2 2 392.971 4.290 50 0 GIAALP COc1cccc(C[N@@H+]2CCC[C@H](Cn3c(C)c[nH+]c3-c3ccccc3)C2)n1 ZINC000575547627 823976442 /nfs/dbraw/zinc/97/64/42/823976442.db2.gz NLCSQPNYOIAOMR-IBGZPJMESA-N 2 2 376.504 4.174 50 0 GIAALP COc1cccc(C[N@H+]2CCC[C@H](Cn3c(C)c[nH+]c3-c3ccccc3)C2)n1 ZINC000575547627 823976443 /nfs/dbraw/zinc/97/64/43/823976443.db2.gz NLCSQPNYOIAOMR-IBGZPJMESA-N 2 2 376.504 4.174 50 0 GIAALP Brc1ccc([C@@H](Cc2ccccc2)[NH2+][C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000019363396 210245043 /nfs/dbraw/zinc/24/50/43/210245043.db2.gz DCJMNODLUBWXRL-NHCUHLMSSA-N 2 2 385.349 4.417 50 0 GIAALP CCCCc1[nH]c(CN(C)C[C@H]2CCC[N@H+](CCc3ccccc3OC)C2)c[nH+]1 ZINC000015075407 210151166 /nfs/dbraw/zinc/15/11/66/210151166.db2.gz WEFPLACGXIRMLD-HXUWFJFHSA-N 2 2 398.595 4.147 50 0 GIAALP CCCCc1[nH]c(CN(C)C[C@H]2CCC[N@@H+](CCc3ccccc3OC)C2)c[nH+]1 ZINC000015075407 210151170 /nfs/dbraw/zinc/15/11/70/210151170.db2.gz WEFPLACGXIRMLD-HXUWFJFHSA-N 2 2 398.595 4.147 50 0 GIAALP CCSc1ncc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CCc2ccccc2)C3)cn1 ZINC000015062209 210145267 /nfs/dbraw/zinc/14/52/67/210145267.db2.gz UXSLPGATTHBNRG-HSZRJFAPSA-N 2 2 396.604 4.119 50 0 GIAALP CCSc1ncc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CCc2ccccc2)C3)cn1 ZINC000015062209 210145271 /nfs/dbraw/zinc/14/52/71/210145271.db2.gz UXSLPGATTHBNRG-HSZRJFAPSA-N 2 2 396.604 4.119 50 0 GIAALP CCSc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cn1 ZINC000015062209 210145274 /nfs/dbraw/zinc/14/52/74/210145274.db2.gz UXSLPGATTHBNRG-HSZRJFAPSA-N 2 2 396.604 4.119 50 0 GIAALP CCSc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)cn1 ZINC000015062209 210145280 /nfs/dbraw/zinc/14/52/80/210145280.db2.gz UXSLPGATTHBNRG-HSZRJFAPSA-N 2 2 396.604 4.119 50 0 GIAALP Cc1c(C)n(-c2nc3ccccc3s2)c2nc[nH+]c(NCCC[NH+](C)C)c12 ZINC000013550066 210067019 /nfs/dbraw/zinc/06/70/19/210067019.db2.gz CMKWWGMDDQGVKP-UHFFFAOYSA-N 2 2 380.521 4.011 50 0 GIAALP c1ccc([C@@H]2C[C@H](c3noc(CCc4[nH]c5ccccc5[nH+]4)n3)[C@H]3CCC[N@@H+]32)cc1 ZINC000299787172 212036784 /nfs/dbraw/zinc/03/67/84/212036784.db2.gz VKHKFTFKSUNLCS-WMQCIHAUSA-N 2 2 399.498 4.424 50 0 GIAALP c1ccc([C@@H]2C[C@H](c3noc(CCc4[nH]c5ccccc5[nH+]4)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299787172 212036780 /nfs/dbraw/zinc/03/67/80/212036780.db2.gz VKHKFTFKSUNLCS-WMQCIHAUSA-N 2 2 399.498 4.424 50 0 GIAALP CN(C(=O)CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C)C1CCCCC1 ZINC000299767471 212033121 /nfs/dbraw/zinc/03/31/21/212033121.db2.gz HOMBPEMJESZSGF-JTHBVZDNSA-N 2 2 385.596 4.010 50 0 GIAALP CN(C(=O)CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C)C1CCCCC1 ZINC000299767471 212033126 /nfs/dbraw/zinc/03/31/26/212033126.db2.gz HOMBPEMJESZSGF-JTHBVZDNSA-N 2 2 385.596 4.010 50 0 GIAALP O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCC[N@H+](CCc2[nH]cc[nH+]2)C1 ZINC000095519244 211264057 /nfs/dbraw/zinc/26/40/57/211264057.db2.gz PKFOHCZYRXSQKX-LJQANCHMSA-N 2 2 392.478 4.109 50 0 GIAALP O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@@H]1CCC[N@@H+](CCc2[nH]cc[nH+]2)C1 ZINC000095519244 211264061 /nfs/dbraw/zinc/26/40/61/211264061.db2.gz PKFOHCZYRXSQKX-LJQANCHMSA-N 2 2 392.478 4.109 50 0 GIAALP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095405690 211238486 /nfs/dbraw/zinc/23/84/86/211238486.db2.gz YSCQDSZUPPIQJT-MSOLQXFVSA-N 2 2 390.487 4.409 50 0 GIAALP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095405690 211238489 /nfs/dbraw/zinc/23/84/89/211238489.db2.gz YSCQDSZUPPIQJT-MSOLQXFVSA-N 2 2 390.487 4.409 50 0 GIAALP Clc1ccc(N2CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC000000757909 526955987 /nfs/dbraw/zinc/95/59/87/526955987.db2.gz PBQQTZCRYJIPBU-UHFFFAOYSA-N 2 2 383.967 4.169 50 0 GIAALP Clc1ccccc1N1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000000757702 526991226 /nfs/dbraw/zinc/99/12/26/526991226.db2.gz VSPREGAGCIVMPE-UHFFFAOYSA-N 2 2 383.967 4.169 50 0 GIAALP CCCc1c[nH+]c(C)nc1N1CCC([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000096180582 535437665 /nfs/dbraw/zinc/43/76/65/535437665.db2.gz LKFIKCTWMGHMPS-UHFFFAOYSA-N 2 2 376.907 4.289 50 0 GIAALP CC[N@@H+](Cc1nc2ccccc2[nH]1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000023338813 570355492 /nfs/dbraw/zinc/35/54/92/570355492.db2.gz AOZNBJXTGOFGOA-HXUWFJFHSA-N 2 2 394.538 4.479 50 0 GIAALP CC[N@H+](Cc1nc2ccccc2[nH]1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000023338813 570355497 /nfs/dbraw/zinc/35/54/97/570355497.db2.gz AOZNBJXTGOFGOA-HXUWFJFHSA-N 2 2 394.538 4.479 50 0 GIAALP CC[NH+](Cc1nc2ccccc2[nH]1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000023338813 570355500 /nfs/dbraw/zinc/35/55/00/570355500.db2.gz AOZNBJXTGOFGOA-HXUWFJFHSA-N 2 2 394.538 4.479 50 0 GIAALP CC[NH+](Cc1nc2ccccc2[nH]1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000023338813 570355503 /nfs/dbraw/zinc/35/55/03/570355503.db2.gz AOZNBJXTGOFGOA-HXUWFJFHSA-N 2 2 394.538 4.479 50 0 GIAALP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3cc(CC(C)C)n[nH]3)C2)cc1 ZINC000011936274 570594062 /nfs/dbraw/zinc/59/40/62/570594062.db2.gz CEAGEJIYAWAGTP-NRFANRHFSA-N 2 2 398.595 4.003 50 0 GIAALP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3cc(CC(C)C)n[nH]3)C2)cc1 ZINC000011936274 570594063 /nfs/dbraw/zinc/59/40/63/570594063.db2.gz CEAGEJIYAWAGTP-NRFANRHFSA-N 2 2 398.595 4.003 50 0 GIAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3cc(CC(C)C)n[nH]3)C2)cc1 ZINC000011936274 570594065 /nfs/dbraw/zinc/59/40/65/570594065.db2.gz CEAGEJIYAWAGTP-NRFANRHFSA-N 2 2 398.595 4.003 50 0 GIAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3cc(CC(C)C)n[nH]3)C2)cc1 ZINC000011936274 570594067 /nfs/dbraw/zinc/59/40/67/570594067.db2.gz CEAGEJIYAWAGTP-NRFANRHFSA-N 2 2 398.595 4.003 50 0 GIAALP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cnc(N(C)C)s4)C3)C2)c1 ZINC000011951366 570595771 /nfs/dbraw/zinc/59/57/71/570595771.db2.gz JCBSWKBOEUAZEI-QFIPXVFZSA-N 2 2 384.593 4.006 50 0 GIAALP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cnc(N(C)C)s4)C3)C2)c1 ZINC000011951366 570595774 /nfs/dbraw/zinc/59/57/74/570595774.db2.gz JCBSWKBOEUAZEI-QFIPXVFZSA-N 2 2 384.593 4.006 50 0 GIAALP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cnc(N(C)C)s4)C3)C2)c1 ZINC000011951366 570595777 /nfs/dbraw/zinc/59/57/77/570595777.db2.gz JCBSWKBOEUAZEI-QFIPXVFZSA-N 2 2 384.593 4.006 50 0 GIAALP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cnc(N(C)C)s4)C3)C2)c1 ZINC000011951366 570595780 /nfs/dbraw/zinc/59/57/80/570595780.db2.gz JCBSWKBOEUAZEI-QFIPXVFZSA-N 2 2 384.593 4.006 50 0 GIAALP CCOc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1ccccc1C ZINC000040719743 570604716 /nfs/dbraw/zinc/60/47/16/570604716.db2.gz MRVIPNAWTLODSP-UHFFFAOYSA-N 2 2 379.504 4.349 50 0 GIAALP c1cn(CCC[N@H+](Cc2ccc([C@@H]3CCCCO3)o2)Cc2cccnc2)c[nH+]1 ZINC000055576494 570697896 /nfs/dbraw/zinc/69/78/96/570697896.db2.gz ZKMGXFDFHYUDPM-NRFANRHFSA-N 2 2 380.492 4.205 50 0 GIAALP c1cn(CCC[N@@H+](Cc2ccc([C@@H]3CCCCO3)o2)Cc2cccnc2)c[nH+]1 ZINC000055576494 570697899 /nfs/dbraw/zinc/69/78/99/570697899.db2.gz ZKMGXFDFHYUDPM-NRFANRHFSA-N 2 2 380.492 4.205 50 0 GIAALP CCc1[nH]c(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)c(C)[nH+]1 ZINC000015065609 210145533 /nfs/dbraw/zinc/14/55/33/210145533.db2.gz GDQBPUDZVCQDCN-QGZVFWFLSA-N 2 2 386.515 4.359 50 0 GIAALP CCc1[nH]c(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)c(C)[nH+]1 ZINC000015065609 210145534 /nfs/dbraw/zinc/14/55/34/210145534.db2.gz GDQBPUDZVCQDCN-QGZVFWFLSA-N 2 2 386.515 4.359 50 0 GIAALP CCOc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1OCc1ccccc1F ZINC000013730052 210085859 /nfs/dbraw/zinc/08/58/59/210085859.db2.gz AIOYVZWXNAMIRG-UHFFFAOYSA-N 2 2 383.467 4.180 50 0 GIAALP COc1ccccc1N1CC[NH+](C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000001164677 209309230 /nfs/dbraw/zinc/30/92/30/209309230.db2.gz WVRQIGQKSWDJOP-UHFFFAOYSA-N 2 2 399.966 4.135 50 0 GIAALP C[C@@H](c1ccc(-c2ccc(C[NH+]3CCN(C)CC3)cn2)cc1)[NH+]1CCCCC1 ZINC000097610011 211368743 /nfs/dbraw/zinc/36/87/43/211368743.db2.gz FZAHRZRQRMYUEQ-FQEVSTJZSA-N 2 2 378.564 4.043 50 0 GIAALP CCc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C(=O)c2ccc3cc(OC)ccc3c2)C1 ZINC000071682104 211052068 /nfs/dbraw/zinc/05/20/68/211052068.db2.gz GVCHYDFSCKJXHT-NRFANRHFSA-N 2 2 391.515 4.202 50 0 GIAALP CCc1[nH+]ccn1CC[N@H+]1CCC[C@H](C(=O)c2ccc3cc(OC)ccc3c2)C1 ZINC000071682104 211052074 /nfs/dbraw/zinc/05/20/74/211052074.db2.gz GVCHYDFSCKJXHT-NRFANRHFSA-N 2 2 391.515 4.202 50 0 GIAALP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2cccc(-c3ccc(F)cc3)c2)n1C ZINC000011935712 221139161 /nfs/dbraw/zinc/13/91/61/221139161.db2.gz WUUQNDPMZOTHTL-QFIPXVFZSA-N 2 2 392.478 4.138 50 0 GIAALP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2C(=O)Nc2cccc(-c3ccc(F)cc3)c2)n1C ZINC000011935712 221139163 /nfs/dbraw/zinc/13/91/63/221139163.db2.gz WUUQNDPMZOTHTL-QFIPXVFZSA-N 2 2 392.478 4.138 50 0 GIAALP CCOc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1ccc(C)cc1 ZINC000010314123 570568537 /nfs/dbraw/zinc/56/85/37/570568537.db2.gz ZWUWOPCFRWRUEB-UHFFFAOYSA-N 2 2 379.504 4.349 50 0 GIAALP c1c(-c2ccc3c(c2)OCO3)[nH+]c2n1c1ccccc1n2CC[NH+]1CCCCC1 ZINC000005706326 570833408 /nfs/dbraw/zinc/83/34/08/570833408.db2.gz FAFMGQNWIUJQKL-UHFFFAOYSA-N 2 2 388.471 4.171 50 0 GIAALP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccc(Cl)c2)C[C@H]1C ZINC000252513169 570982779 /nfs/dbraw/zinc/98/27/79/570982779.db2.gz XTGAMMLNBCQPQQ-CBISJHAASA-N 2 2 392.971 4.290 50 0 GIAALP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccc(Cl)c2)C[C@H]1C ZINC000252513169 570982782 /nfs/dbraw/zinc/98/27/82/570982782.db2.gz XTGAMMLNBCQPQQ-CBISJHAASA-N 2 2 392.971 4.290 50 0 GIAALP Fc1ccc(Nc2ncc(C[N@@H+]3CCC[C@H](Cn4cc[nH+]c4)C3)s2)c(F)c1 ZINC000023340432 818924176 /nfs/dbraw/zinc/92/41/76/818924176.db2.gz YWVWFLHZTUQFNJ-AWEZNQCLSA-N 2 2 389.475 4.274 50 0 GIAALP Fc1ccc(Nc2ncc(C[N@H+]3CCC[C@H](Cn4cc[nH+]c4)C3)s2)c(F)c1 ZINC000023340432 818924184 /nfs/dbraw/zinc/92/41/84/818924184.db2.gz YWVWFLHZTUQFNJ-AWEZNQCLSA-N 2 2 389.475 4.274 50 0 GIAALP CCOc1cccc(C[NH2+]CCC[NH+](C)C)c1OCc1ccccc1Cl ZINC000013736265 210086727 /nfs/dbraw/zinc/08/67/27/210086727.db2.gz VNJUCVGSMATVIM-UHFFFAOYSA-N 2 2 376.928 4.359 50 0 GIAALP O=C([C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)c1ccccc1)N1CCCCC1 ZINC000012903710 210026161 /nfs/dbraw/zinc/02/61/61/210026161.db2.gz LDJZGMLORUPDSM-DEOSSOPVSA-N 2 2 391.559 4.126 50 0 GIAALP COc1cccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)c1OC ZINC000000809666 209267742 /nfs/dbraw/zinc/26/77/42/209267742.db2.gz GBTWBJLHCODVDI-UHFFFAOYSA-N 2 2 394.519 4.152 50 0 GIAALP CCCCN1CCc2[nH+]c[nH]c2C12CC[NH+](C/C=C/c1ccc(F)cc1)CC2 ZINC000095526034 211273267 /nfs/dbraw/zinc/27/32/67/211273267.db2.gz VJRYQYLSNXSGQC-SNAWJCMRSA-N 2 2 382.527 4.212 50 0 GIAALP Cc1[nH+]c2cc(NC(=O)c3cccc4c3ccn4C)ccc2n1CCC[NH+](C)C ZINC000079484216 211157701 /nfs/dbraw/zinc/15/77/01/211157701.db2.gz WBZLJHJJYXLZBD-UHFFFAOYSA-N 2 2 389.503 4.040 50 0 GIAALP Cc1ccc([C@@H](Cn2cnc(-c3ccccc3)c2-c2[nH+]c[nH]c2C)[NH+](C)C)o1 ZINC000067820491 211023426 /nfs/dbraw/zinc/02/34/26/211023426.db2.gz DKKCQJAJLPKUGB-GOSISDBHSA-N 2 2 375.476 4.453 50 0 GIAALP c1nc2ccccc2n1-c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000021841288 210395712 /nfs/dbraw/zinc/39/57/12/210395712.db2.gz ZNRVTZXTKBGQQV-QFIPXVFZSA-N 2 2 382.511 4.390 50 0 GIAALP c1nc2ccccc2n1-c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000021841288 210395716 /nfs/dbraw/zinc/39/57/16/210395716.db2.gz ZNRVTZXTKBGQQV-QFIPXVFZSA-N 2 2 382.511 4.390 50 0 GIAALP CCCc1cc(N2CCC([NH2+]Cc3c(F)cccc3Cl)CC2)nc(C)[nH+]1 ZINC000095512010 136180765 /nfs/dbraw/zinc/18/07/65/136180765.db2.gz XGCZWYSTUSOLMD-UHFFFAOYSA-N 2 2 376.907 4.289 50 0 GIAALP Clc1cccc(N2CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC000000757901 526979378 /nfs/dbraw/zinc/97/93/78/526979378.db2.gz AAGNNPJQKVQGBQ-UHFFFAOYSA-N 2 2 383.967 4.169 50 0 GIAALP COc1cc(C[NH+]2CCC(c3[nH+]ccn3C)CC2)c(Cl)cc1OC(C)C ZINC000215164531 570286020 /nfs/dbraw/zinc/28/60/20/570286020.db2.gz UMZWFUFJXXWXEI-UHFFFAOYSA-N 2 2 377.916 4.249 50 0 GIAALP Fc1ccccc1-c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)o1 ZINC000023846668 570373586 /nfs/dbraw/zinc/37/35/86/570373586.db2.gz ZIXOPYJVGGVSEZ-UHFFFAOYSA-N 2 2 380.463 4.208 50 0 GIAALP C[NH+](C)CCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000008373849 570529992 /nfs/dbraw/zinc/52/99/92/570529992.db2.gz GGVZVVHKBQSEDM-UHFFFAOYSA-N 2 2 395.316 4.209 50 0 GIAALP COc1cc(Cl)cc(C[NH2+]CCCn2cc[nH+]c2)c1OCc1ccccc1 ZINC000010314154 570568451 /nfs/dbraw/zinc/56/84/51/570568451.db2.gz JKOIKVWAIAIYBY-UHFFFAOYSA-N 2 2 385.895 4.304 50 0 GIAALP C[C@@H](C[NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)Cn1cc[nH+]c1 ZINC000062254517 570596473 /nfs/dbraw/zinc/59/64/73/570596473.db2.gz MYDSWQFQYAIODX-INIZCTEOSA-N 2 2 382.895 4.215 50 0 GIAALP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)n1C ZINC000012434228 570661780 /nfs/dbraw/zinc/66/17/80/570661780.db2.gz JXBSQTJUNWLIBB-JOCHJYFZSA-N 2 2 392.478 4.138 50 0 GIAALP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)n1C ZINC000012434228 570661781 /nfs/dbraw/zinc/66/17/81/570661781.db2.gz JXBSQTJUNWLIBB-JOCHJYFZSA-N 2 2 392.478 4.138 50 0 GIAALP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000174407009 822786165 /nfs/dbraw/zinc/78/61/65/822786165.db2.gz TXAGXIUELIUCQG-IBGZPJMESA-N 2 2 380.960 4.250 50 0 GIAALP CC[NH+](CC)CC(=O)Nc1c2c([nH+]c3ccccc31)N(Cc1ccccc1)CC2 ZINC000002278726 209354925 /nfs/dbraw/zinc/35/49/25/209354925.db2.gz NXFZZYBVTYXBEB-UHFFFAOYSA-N 2 2 388.515 4.078 50 0 GIAALP CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccc4c(c3)OCO4)[nH+]c21 ZINC000001260931 209317859 /nfs/dbraw/zinc/31/78/59/209317859.db2.gz UVSGQLOFTIDYKD-UHFFFAOYSA-N 2 2 376.460 4.027 50 0 GIAALP C[N@H+]([C@@H]1CCN(c2ccccc2Cl)C1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095457110 211242165 /nfs/dbraw/zinc/24/21/65/211242165.db2.gz KBYKVZKBTULHBK-JOCHJYFZSA-N 2 2 397.950 4.042 50 0 GIAALP C[N@@H+]([C@@H]1CCN(c2ccccc2Cl)C1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095457110 211242169 /nfs/dbraw/zinc/24/21/69/211242169.db2.gz KBYKVZKBTULHBK-JOCHJYFZSA-N 2 2 397.950 4.042 50 0 GIAALP Cc1ccc2c(c1)c1c(n2CCc2ccncc2)CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000071280467 211041984 /nfs/dbraw/zinc/04/19/84/211041984.db2.gz GLNBRPIPBOSSGY-UHFFFAOYSA-N 2 2 388.559 4.040 50 0 GIAALP Cc1ccc2c(c1)c1c(n2CCc2ccncc2)CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000071280467 211041989 /nfs/dbraw/zinc/04/19/89/211041989.db2.gz GLNBRPIPBOSSGY-UHFFFAOYSA-N 2 2 388.559 4.040 50 0 GIAALP CCCn1ncc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c1C ZINC000020203669 210321464 /nfs/dbraw/zinc/32/14/64/210321464.db2.gz OECUMCAFNRGZMB-NRFANRHFSA-N 2 2 386.559 4.127 50 0 GIAALP CCCn1ncc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c1C ZINC000020203669 210321469 /nfs/dbraw/zinc/32/14/69/210321469.db2.gz OECUMCAFNRGZMB-NRFANRHFSA-N 2 2 386.559 4.127 50 0 GIAALP CCCn1ncc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c1C ZINC000020203669 210321471 /nfs/dbraw/zinc/32/14/71/210321471.db2.gz OECUMCAFNRGZMB-NRFANRHFSA-N 2 2 386.559 4.127 50 0 GIAALP CCCn1ncc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c1C ZINC000020203669 210321475 /nfs/dbraw/zinc/32/14/75/210321475.db2.gz OECUMCAFNRGZMB-NRFANRHFSA-N 2 2 386.559 4.127 50 0 GIAALP Cc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2nc3ccccc3n2C)C1 ZINC000011820151 221129686 /nfs/dbraw/zinc/12/96/86/221129686.db2.gz XLMVBBFPNVATRS-OAQYLSRUSA-N 2 2 390.575 4.268 50 0 GIAALP Cc1ccccc1CC[NH+]1CCC[C@H](C[N@H+](C)Cc2nc3ccccc3n2C)C1 ZINC000011820151 221129688 /nfs/dbraw/zinc/12/96/88/221129688.db2.gz XLMVBBFPNVATRS-OAQYLSRUSA-N 2 2 390.575 4.268 50 0 GIAALP Cc1ccccc1CC[N@H+]1CCC[C@H](C[NH+](C)Cc2nc3ccccc3n2C)C1 ZINC000011820151 221129689 /nfs/dbraw/zinc/12/96/89/221129689.db2.gz XLMVBBFPNVATRS-OAQYLSRUSA-N 2 2 390.575 4.268 50 0 GIAALP Cc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2nc3ccccc3n2C)C1 ZINC000011820151 221129690 /nfs/dbraw/zinc/12/96/90/221129690.db2.gz XLMVBBFPNVATRS-OAQYLSRUSA-N 2 2 390.575 4.268 50 0 GIAALP Cc1cc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000021672495 136203164 /nfs/dbraw/zinc/20/31/64/136203164.db2.gz RRRHQTLNYKPMRZ-UHFFFAOYSA-N 2 2 378.442 4.249 50 0 GIAALP Cc1ccc(-c2n[nH]cc2C[N@H+](Cc2ccncc2)C2CC[NH+](C)CC2)cc1C ZINC000012446570 570666896 /nfs/dbraw/zinc/66/68/96/570666896.db2.gz DDIJMDXOXHYUKJ-UHFFFAOYSA-N 2 2 389.547 4.185 50 0 GIAALP Cc1ccc(-c2n[nH]cc2C[N@@H+](Cc2ccncc2)C2CC[NH+](C)CC2)cc1C ZINC000012446570 570666900 /nfs/dbraw/zinc/66/69/00/570666900.db2.gz DDIJMDXOXHYUKJ-UHFFFAOYSA-N 2 2 389.547 4.185 50 0 GIAALP Clc1ccc(CN2CCC([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000057995282 570705819 /nfs/dbraw/zinc/70/58/19/570705819.db2.gz VGNRWEDMGGEXRK-UHFFFAOYSA-N 2 2 380.923 4.280 50 0 GIAALP Cc1ccc(-n2cc(C[N@H+](C)CCn3cc[nH+]c3)c(-c3cccc(C)c3)n2)cc1 ZINC000059807800 570739309 /nfs/dbraw/zinc/73/93/09/570739309.db2.gz GPDJXTIUFAZPRH-UHFFFAOYSA-N 2 2 385.515 4.485 50 0 GIAALP Cc1ccc(-n2cc(C[N@@H+](C)CCn3cc[nH+]c3)c(-c3cccc(C)c3)n2)cc1 ZINC000059807800 570739311 /nfs/dbraw/zinc/73/93/11/570739311.db2.gz GPDJXTIUFAZPRH-UHFFFAOYSA-N 2 2 385.515 4.485 50 0 GIAALP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2cccc(Cl)c2)C[C@H]1C ZINC000252513170 570982846 /nfs/dbraw/zinc/98/28/46/570982846.db2.gz XTGAMMLNBCQPQQ-CRSFFPMXSA-N 2 2 392.971 4.290 50 0 GIAALP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccc(Cl)c2)C[C@H]1C ZINC000252513170 570982849 /nfs/dbraw/zinc/98/28/49/570982849.db2.gz XTGAMMLNBCQPQQ-CRSFFPMXSA-N 2 2 392.971 4.290 50 0 GIAALP C[C@H]([NH2+]C1(C[NH2+]Cc2cnc(C(C)(C)C)s2)CCOCC1)c1ccccc1 ZINC000097002589 211355261 /nfs/dbraw/zinc/35/52/61/211355261.db2.gz CXXTXCQEHUBZAK-KRWDZBQOSA-N 2 2 387.593 4.430 50 0 GIAALP C[N@H+]([C@H]1CCN(c2ccccc2Cl)C1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095457111 211242350 /nfs/dbraw/zinc/24/23/50/211242350.db2.gz KBYKVZKBTULHBK-QFIPXVFZSA-N 2 2 397.950 4.042 50 0 GIAALP C[N@@H+]([C@H]1CCN(c2ccccc2Cl)C1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095457111 211242356 /nfs/dbraw/zinc/24/23/56/211242356.db2.gz KBYKVZKBTULHBK-QFIPXVFZSA-N 2 2 397.950 4.042 50 0 GIAALP c1cn(CCC[N@@H+]2CCc3[nH]nc(C(c4ccccc4)c4ccccc4)c3C2)c[nH+]1 ZINC000067772767 211020474 /nfs/dbraw/zinc/02/04/74/211020474.db2.gz FROCVLRBQSHWGL-UHFFFAOYSA-N 2 2 397.526 4.235 50 0 GIAALP c1cn(CCC[N@H+]2CCc3[nH]nc(C(c4ccccc4)c4ccccc4)c3C2)c[nH+]1 ZINC000067772767 211020480 /nfs/dbraw/zinc/02/04/80/211020480.db2.gz FROCVLRBQSHWGL-UHFFFAOYSA-N 2 2 397.526 4.235 50 0 GIAALP c1cn(CCC[N@@H+]2CCc3n[nH]c(C(c4ccccc4)c4ccccc4)c3C2)c[nH+]1 ZINC000067772767 211020482 /nfs/dbraw/zinc/02/04/82/211020482.db2.gz FROCVLRBQSHWGL-UHFFFAOYSA-N 2 2 397.526 4.235 50 0 GIAALP c1cn(CCC[N@H+]2CCc3n[nH]c(C(c4ccccc4)c4ccccc4)c3C2)c[nH+]1 ZINC000067772767 211020488 /nfs/dbraw/zinc/02/04/88/211020488.db2.gz FROCVLRBQSHWGL-UHFFFAOYSA-N 2 2 397.526 4.235 50 0 GIAALP Cc1sc2ccccc2c1C[NH2+]C[C@H]1C[C@@H](CO)[N@@H+](C)[C@H]1c1ccccc1F ZINC000020202248 210322328 /nfs/dbraw/zinc/32/23/28/210322328.db2.gz BIBFGXMAHBVIEE-SAHWJRBASA-N 2 2 398.547 4.492 50 0 GIAALP Cc1sc2ccccc2c1C[NH2+]C[C@H]1C[C@@H](CO)[N@H+](C)[C@H]1c1ccccc1F ZINC000020202248 210322332 /nfs/dbraw/zinc/32/23/32/210322332.db2.gz BIBFGXMAHBVIEE-SAHWJRBASA-N 2 2 398.547 4.492 50 0 GIAALP Cc1cc(N2CCC([NH2+]C[C@@H](c3ccccc3C)N(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000095527552 136181774 /nfs/dbraw/zinc/18/17/74/136181774.db2.gz TWMHCRJHLMCIFV-QFIPXVFZSA-N 2 2 395.595 4.078 50 0 GIAALP CCc1c[nH+]c(C)nc1N1CCC([NH2+][C@@H](CC(C)(C)C)c2cccnc2)CC1 ZINC000096137822 536020001 /nfs/dbraw/zinc/02/00/01/536020001.db2.gz BPRUKUOFINJDNC-NRFANRHFSA-N 2 2 381.568 4.478 50 0 GIAALP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)n1-c1ccnn1C(C)C ZINC000022912513 570333722 /nfs/dbraw/zinc/33/37/22/570333722.db2.gz BWGCPTIZXZGWLY-HSZRJFAPSA-N 2 2 391.563 4.236 50 0 GIAALP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)n1-c1ccnn1C(C)C ZINC000022912513 570333725 /nfs/dbraw/zinc/33/37/25/570333725.db2.gz BWGCPTIZXZGWLY-HSZRJFAPSA-N 2 2 391.563 4.236 50 0 GIAALP CCc1ccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4OC)CC3)CC2)cc1 ZINC000004703451 570395412 /nfs/dbraw/zinc/39/54/12/570395412.db2.gz FIKKZAYVXCIXNP-UHFFFAOYSA-N 2 2 393.575 4.044 50 0 GIAALP Cc1cccc(N2CC[NH+](Cc3c[nH]nc3-c3cccc4ccccc43)CC2)[nH+]1 ZINC000012302727 570637115 /nfs/dbraw/zinc/63/71/15/570637115.db2.gz YMJVPDUFESFDQG-UHFFFAOYSA-N 2 2 383.499 4.256 50 0 GIAALP CCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc3c4c2cccc4C(=O)OC3)C1 ZINC000244874680 570697704 /nfs/dbraw/zinc/69/77/04/570697704.db2.gz XFNJDIFZMPQHKG-KRWDZBQOSA-N 2 2 375.472 4.106 50 0 GIAALP CCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc3c4c2cccc4C(=O)OC3)C1 ZINC000244874680 570697707 /nfs/dbraw/zinc/69/77/07/570697707.db2.gz XFNJDIFZMPQHKG-KRWDZBQOSA-N 2 2 375.472 4.106 50 0 GIAALP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3c(F)cccc3Cl)cc2)C[C@H](C)O1 ZINC000084706356 571032273 /nfs/dbraw/zinc/03/22/73/571032273.db2.gz PVDPEGNRIXQXPA-HOTGVXAUSA-N 2 2 376.903 4.378 50 0 GIAALP C[NH+](C)CCn1cc[nH+]c1[C@H]1CCCN(c2ccc3cccc(Cl)c3n2)C1 ZINC000095500699 535936742 /nfs/dbraw/zinc/93/67/42/535936742.db2.gz MNNNYZDLANWXKU-KRWDZBQOSA-N 2 2 383.927 4.030 50 0 GIAALP Cc1[nH]c(C)c(-c2cccc(C(=O)N(C)[C@@H](C[NH+](C)C)c3ccccc3)c2)[nH+]1 ZINC000584901444 570270771 /nfs/dbraw/zinc/27/07/71/570270771.db2.gz UYBPTUZETQTEAH-NRFANRHFSA-N 2 2 376.504 4.068 50 0 GIAALP CCOc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1cccc(C)c1 ZINC000040719742 570604897 /nfs/dbraw/zinc/60/48/97/570604897.db2.gz SNAZXXIVSWFNQF-UHFFFAOYSA-N 2 2 379.504 4.349 50 0 GIAALP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3c(F)cccc3Cl)cc2)C[C@@H](C)O1 ZINC000084706357 571031898 /nfs/dbraw/zinc/03/18/98/571031898.db2.gz PVDPEGNRIXQXPA-HZPDHXFCSA-N 2 2 376.903 4.378 50 0 GIAALP OC[C@]1(Cc2ccccc2F)CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011843571 818125588 /nfs/dbraw/zinc/12/55/88/818125588.db2.gz APPVLJQQOIORRP-VWLOTQADSA-N 2 2 396.550 4.107 50 0 GIAALP OC[C@]1(Cc2ccccc2F)CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011843571 818125590 /nfs/dbraw/zinc/12/55/90/818125590.db2.gz APPVLJQQOIORRP-VWLOTQADSA-N 2 2 396.550 4.107 50 0 GIAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2cccc(F)c2F)cc1 ZINC000012306891 221179195 /nfs/dbraw/zinc/17/91/95/221179195.db2.gz GLGDWKIXYAZIFW-FQEVSTJZSA-N 2 2 396.441 4.062 50 0 GIAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2cccc(F)c2F)cc1 ZINC000012306891 221179199 /nfs/dbraw/zinc/17/91/99/221179199.db2.gz GLGDWKIXYAZIFW-FQEVSTJZSA-N 2 2 396.441 4.062 50 0 GIAALP CCOc1cccc(C[NH2+]CCC[NH+](C)C)c1OCc1ccc(Cl)cc1 ZINC000013736374 221287497 /nfs/dbraw/zinc/28/74/97/221287497.db2.gz WUVBNSYVGPRSIK-UHFFFAOYSA-N 2 2 376.928 4.359 50 0 GIAALP CCSc1ncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CCc2ccccc2)C3)cn1 ZINC000015062211 221328182 /nfs/dbraw/zinc/32/81/82/221328182.db2.gz UXSLPGATTHBNRG-QHCPKHFHSA-N 2 2 396.604 4.119 50 0 GIAALP CCSc1ncc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CCc2ccccc2)C3)cn1 ZINC000015062211 221328183 /nfs/dbraw/zinc/32/81/83/221328183.db2.gz UXSLPGATTHBNRG-QHCPKHFHSA-N 2 2 396.604 4.119 50 0 GIAALP CCSc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cn1 ZINC000015062211 221328187 /nfs/dbraw/zinc/32/81/87/221328187.db2.gz UXSLPGATTHBNRG-QHCPKHFHSA-N 2 2 396.604 4.119 50 0 GIAALP CCSc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)cn1 ZINC000015062211 221328189 /nfs/dbraw/zinc/32/81/89/221328189.db2.gz UXSLPGATTHBNRG-QHCPKHFHSA-N 2 2 396.604 4.119 50 0 GIAALP C[C@H](c1ccc(-c2ccc(C[NH+]3CCN(C)CC3)cn2)cc1)[NH+]1CCCCC1 ZINC000097610012 570247583 /nfs/dbraw/zinc/24/75/83/570247583.db2.gz FZAHRZRQRMYUEQ-HXUWFJFHSA-N 2 2 378.564 4.043 50 0 GIAALP CC(C)Cn1c[nH+]cc1CN1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000107021121 570308192 /nfs/dbraw/zinc/30/81/92/570308192.db2.gz AJRXRYYAZWTFHU-HSZRJFAPSA-N 2 2 386.559 4.411 50 0 GIAALP CC(C)Cn1c[nH+]cc1CN1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000107021121 570308194 /nfs/dbraw/zinc/30/81/94/570308194.db2.gz AJRXRYYAZWTFHU-HSZRJFAPSA-N 2 2 386.559 4.411 50 0 GIAALP CCc1oc2ccccc2c1C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000072289907 570482989 /nfs/dbraw/zinc/48/29/89/570482989.db2.gz LOXOHBBCMSIXJK-QGZVFWFLSA-N 2 2 377.488 4.112 50 0 GIAALP C[C@H](c1ccc(-c2cccc(OCCn3cc[nH+]c3)c2)cc1)[NH+]1CCOCC1 ZINC000534589517 570905806 /nfs/dbraw/zinc/90/58/06/570905806.db2.gz PWCXUFNUBARIKC-LJQANCHMSA-N 2 2 377.488 4.022 50 0 GIAALP CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3)cc1)O[C@H](C)C2 ZINC000007984343 817975690 /nfs/dbraw/zinc/97/56/90/817975690.db2.gz ITQOEDQDJZSWPF-SJORKVTESA-N 2 2 377.488 4.445 50 0 GIAALP OC[C@@]1(Cc2ccccc2F)CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011843572 818125657 /nfs/dbraw/zinc/12/56/57/818125657.db2.gz APPVLJQQOIORRP-RUZDIDTESA-N 2 2 396.550 4.107 50 0 GIAALP OC[C@@]1(Cc2ccccc2F)CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011843572 818125660 /nfs/dbraw/zinc/12/56/60/818125660.db2.gz APPVLJQQOIORRP-RUZDIDTESA-N 2 2 396.550 4.107 50 0 GIAALP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000221818264 212114907 /nfs/dbraw/zinc/11/49/07/212114907.db2.gz YSCQDSZUPPIQJT-ZWKOTPCHSA-N 2 2 390.487 4.409 50 0 GIAALP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000221818264 212114910 /nfs/dbraw/zinc/11/49/10/212114910.db2.gz YSCQDSZUPPIQJT-ZWKOTPCHSA-N 2 2 390.487 4.409 50 0 GIAALP CC(C)Cc1cc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000012300972 221178488 /nfs/dbraw/zinc/17/84/88/221178488.db2.gz TVPDIWZAKVQGHQ-HXUWFJFHSA-N 2 2 386.559 4.134 50 0 GIAALP CC(C)Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000012300972 221178492 /nfs/dbraw/zinc/17/84/92/221178492.db2.gz TVPDIWZAKVQGHQ-HXUWFJFHSA-N 2 2 386.559 4.134 50 0 GIAALP CC(C)Cc1cc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000012300972 221178493 /nfs/dbraw/zinc/17/84/93/221178493.db2.gz TVPDIWZAKVQGHQ-HXUWFJFHSA-N 2 2 386.559 4.134 50 0 GIAALP CC(C)Cc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000012300972 221178496 /nfs/dbraw/zinc/17/84/96/221178496.db2.gz TVPDIWZAKVQGHQ-HXUWFJFHSA-N 2 2 386.559 4.134 50 0 GIAALP OCC[C@@H]1CN(c2cc[nH+]c3c2cccc3C(F)(F)F)CC[N@@H+]1C1CCCC1 ZINC000072411853 136169679 /nfs/dbraw/zinc/16/96/79/136169679.db2.gz WOKORVOSMIFUDZ-MRXNPFEDSA-N 2 2 393.453 4.069 50 0 GIAALP OCC[C@@H]1CN(c2cc[nH+]c3c2cccc3C(F)(F)F)CC[N@H+]1C1CCCC1 ZINC000072411853 136169680 /nfs/dbraw/zinc/16/96/80/136169680.db2.gz WOKORVOSMIFUDZ-MRXNPFEDSA-N 2 2 393.453 4.069 50 0 GIAALP c1cn(CCC[N@H+](Cc2ccc([C@H]3CCCCO3)o2)Cc2cccnc2)c[nH+]1 ZINC000055576496 222022535 /nfs/dbraw/zinc/02/25/35/222022535.db2.gz ZKMGXFDFHYUDPM-OAQYLSRUSA-N 2 2 380.492 4.205 50 0 GIAALP c1cn(CCC[N@@H+](Cc2ccc([C@H]3CCCCO3)o2)Cc2cccnc2)c[nH+]1 ZINC000055576496 222022538 /nfs/dbraw/zinc/02/25/38/222022538.db2.gz ZKMGXFDFHYUDPM-OAQYLSRUSA-N 2 2 380.492 4.205 50 0 GIAALP CSc1nc(NCCCCCCNc2cc(C)[nH+]c(SC)n2)cc(C)[nH+]1 ZINC000071775401 222197825 /nfs/dbraw/zinc/19/78/25/222197825.db2.gz KJXKRMISZXBTLC-UHFFFAOYSA-N 2 2 392.598 4.412 50 0 GIAALP CC(C)n1cc[nH+]c1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000095508687 222340537 /nfs/dbraw/zinc/34/05/37/222340537.db2.gz MGQNUODKAKYTGE-QFIPXVFZSA-N 2 2 394.563 4.225 50 0 GIAALP CC(C)n1cc[nH+]c1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000095508687 222340540 /nfs/dbraw/zinc/34/05/40/222340540.db2.gz MGQNUODKAKYTGE-QFIPXVFZSA-N 2 2 394.563 4.225 50 0 GIAALP CCNC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000020601095 570269965 /nfs/dbraw/zinc/26/99/65/570269965.db2.gz XZMSBZJXWAYRRT-SFHVURJKSA-N 2 2 380.517 4.021 50 0 GIAALP CCNC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000020601095 570269966 /nfs/dbraw/zinc/26/99/66/570269966.db2.gz XZMSBZJXWAYRRT-SFHVURJKSA-N 2 2 380.517 4.021 50 0 GIAALP COc1cccc(C[NH2+]CCC[NH+](C)C)c1OCc1ccc(F)cc1Cl ZINC000020876233 570283485 /nfs/dbraw/zinc/28/34/85/570283485.db2.gz LXNYSGNFJLIGRY-UHFFFAOYSA-N 2 2 380.891 4.108 50 0 GIAALP Fc1ccccc1-c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000023845119 570333382 /nfs/dbraw/zinc/33/33/82/570333382.db2.gz UDWINDWZYMUKEI-UHFFFAOYSA-N 2 2 380.463 4.208 50 0 GIAALP CC[NH+](CC)CCC[NH2+]Cc1nn(Cc2cccc(C)c2)nc1-c1ccccc1 ZINC000261491816 570789492 /nfs/dbraw/zinc/78/94/92/570789492.db2.gz LBDYKODKJCLPFG-UHFFFAOYSA-N 2 2 391.563 4.123 50 0 GIAALP CC[NH+](CC)CCC[NH2+]Cc1nn(Cc2ccccc2C)nc1-c1ccccc1 ZINC000261491745 570789664 /nfs/dbraw/zinc/78/96/64/570789664.db2.gz GYXSSBYBARAXCG-UHFFFAOYSA-N 2 2 391.563 4.123 50 0 GIAALP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccc(OC)c(OC)c1 ZINC000000809685 212183955 /nfs/dbraw/zinc/18/39/55/212183955.db2.gz GOMWPUGRZWXOAW-UHFFFAOYSA-N 2 2 382.508 4.007 50 0 GIAALP c1nn(-c2ccccc2)c2nc[nH+]c(NCc3ccccc3C[NH+]3CCCC3)c12 ZINC000009513538 221082727 /nfs/dbraw/zinc/08/27/27/221082727.db2.gz MPYNMMGHXPMFMC-UHFFFAOYSA-N 2 2 384.487 4.023 50 0 GIAALP CCCn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3C)C2)c(C)n1 ZINC000011814398 221126216 /nfs/dbraw/zinc/12/62/16/221126216.db2.gz HVSJRRAYVHUFMI-QFIPXVFZSA-N 2 2 382.596 4.296 50 0 GIAALP CCCn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3C)C2)c(C)n1 ZINC000011814398 221126220 /nfs/dbraw/zinc/12/62/20/221126220.db2.gz HVSJRRAYVHUFMI-QFIPXVFZSA-N 2 2 382.596 4.296 50 0 GIAALP CCCn1cc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)c(C)n1 ZINC000011814398 221126224 /nfs/dbraw/zinc/12/62/24/221126224.db2.gz HVSJRRAYVHUFMI-QFIPXVFZSA-N 2 2 382.596 4.296 50 0 GIAALP CCCn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3C)C2)c(C)n1 ZINC000011814398 221126226 /nfs/dbraw/zinc/12/62/26/221126226.db2.gz HVSJRRAYVHUFMI-QFIPXVFZSA-N 2 2 382.596 4.296 50 0 GIAALP CC[N@@H+](Cc1ccc(COC)o1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012051151 221145579 /nfs/dbraw/zinc/14/55/79/221145579.db2.gz FUOCHNWQEZUGBJ-FQEVSTJZSA-N 2 2 388.527 4.342 50 0 GIAALP CC[N@H+](Cc1ccc(COC)o1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012051151 221145580 /nfs/dbraw/zinc/14/55/80/221145580.db2.gz FUOCHNWQEZUGBJ-FQEVSTJZSA-N 2 2 388.527 4.342 50 0 GIAALP CC[NH+](Cc1ccc(COC)o1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012051151 221145581 /nfs/dbraw/zinc/14/55/81/221145581.db2.gz FUOCHNWQEZUGBJ-FQEVSTJZSA-N 2 2 388.527 4.342 50 0 GIAALP CC[NH+](Cc1ccc(COC)o1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012051151 221145582 /nfs/dbraw/zinc/14/55/82/221145582.db2.gz FUOCHNWQEZUGBJ-FQEVSTJZSA-N 2 2 388.527 4.342 50 0 GIAALP Cc1ccc2[nH]c(-c3ccccc3)c(C[N@@H+](C)C3CC[NH+](C)CC3)c(=O)c2c1 ZINC000012082282 221147836 /nfs/dbraw/zinc/14/78/36/221147836.db2.gz ZCIVGBZXRIACKS-UHFFFAOYSA-N 2 2 375.516 4.442 50 0 GIAALP Cc1ccc2[nH]c(-c3ccccc3)c(C[N@H+](C)C3CC[NH+](C)CC3)c(=O)c2c1 ZINC000012082282 221147838 /nfs/dbraw/zinc/14/78/38/221147838.db2.gz ZCIVGBZXRIACKS-UHFFFAOYSA-N 2 2 375.516 4.442 50 0 GIAALP COCCn1cc[nH+]c1[C@H]1CCCN(c2cc(C)c3cc4c(cc3[nH+]2)CCC4)C1 ZINC000095505163 136180248 /nfs/dbraw/zinc/18/02/48/136180248.db2.gz JEWPCIOPMGHIJQ-FQEVSTJZSA-N 2 2 390.531 4.259 50 0 GIAALP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000058140177 222041199 /nfs/dbraw/zinc/04/11/99/222041199.db2.gz AUVLSGBBPFZLRL-UHFFFAOYSA-N 2 2 383.536 4.025 50 0 GIAALP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000058140177 222041201 /nfs/dbraw/zinc/04/12/01/222041201.db2.gz AUVLSGBBPFZLRL-UHFFFAOYSA-N 2 2 383.536 4.025 50 0 GIAALP CCCCN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000095507630 222340681 /nfs/dbraw/zinc/34/06/81/222340681.db2.gz GGXUPCMSRVMYTD-UHFFFAOYSA-N 2 2 389.547 4.107 50 0 GIAALP Cc1[nH+]c2cc(NC(=O)c3ccc4c(ccn4C)c3)ccc2n1CCC[NH+](C)C ZINC000079473625 222304459 /nfs/dbraw/zinc/30/44/59/222304459.db2.gz XMLIEQDASCRELZ-UHFFFAOYSA-N 2 2 389.503 4.040 50 0 GIAALP O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000095521523 222346800 /nfs/dbraw/zinc/34/68/00/222346800.db2.gz QJGMAXBAIOKXNL-QFIPXVFZSA-N 2 2 392.478 4.182 50 0 GIAALP O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000095521523 222346801 /nfs/dbraw/zinc/34/68/01/222346801.db2.gz QJGMAXBAIOKXNL-QFIPXVFZSA-N 2 2 392.478 4.182 50 0 GIAALP COc1ccc2c(C)cc(NC[C@@H](c3ccccc3)[NH+]3CCOCC3)[nH+]c2c1 ZINC000048354525 570241917 /nfs/dbraw/zinc/24/19/17/570241917.db2.gz PAFIHCVVAURYKH-QFIPXVFZSA-N 2 2 377.488 4.037 50 0 GIAALP C[N@H+](Cc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)nc1)C1CCCCC1 ZINC000024909997 570398201 /nfs/dbraw/zinc/39/82/01/570398201.db2.gz HQNQNBOAYWEVOJ-UHFFFAOYSA-N 2 2 389.503 4.284 50 0 GIAALP C[N@@H+](Cc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)nc1)C1CCCCC1 ZINC000024909997 570398203 /nfs/dbraw/zinc/39/82/03/570398203.db2.gz HQNQNBOAYWEVOJ-UHFFFAOYSA-N 2 2 389.503 4.284 50 0 GIAALP COc1cccc(C[NH2+]CCC[NH+](C)C)c1OCc1c(F)cccc1Cl ZINC000040719477 570603968 /nfs/dbraw/zinc/60/39/68/570603968.db2.gz VBFKMOVFFPYBOZ-UHFFFAOYSA-N 2 2 380.891 4.108 50 0 GIAALP C[NH+](C)CCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000008373845 570768637 /nfs/dbraw/zinc/76/86/37/570768637.db2.gz MYIWUYRHBYDWTA-UHFFFAOYSA-N 2 2 377.326 4.069 50 0 GIAALP Brc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2C[NH+]3CCC2CC3)cc1 ZINC000019363392 570979612 /nfs/dbraw/zinc/97/96/12/570979612.db2.gz DCJMNODLUBWXRL-SFTDATJTSA-N 2 2 385.349 4.417 50 0 GIAALP O=C1CCC2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)CN1C1CCCC1 ZINC000091475399 571010522 /nfs/dbraw/zinc/01/05/22/571010522.db2.gz OARDJGKRRNSEKN-UHFFFAOYSA-N 2 2 392.547 4.020 50 0 GIAALP CCOc1cc2c(cc1C[NH2+][C@H](C)c1ccc(-n3cc[nH+]c3)cc1)O[C@H](C)C2 ZINC000007984344 817975772 /nfs/dbraw/zinc/97/57/72/817975772.db2.gz ITQOEDQDJZSWPF-IAGOWNOFSA-N 2 2 377.488 4.445 50 0 GIAALP Cc1ccc(-c2nnc([C@@H](C)[NH2+]Cc3ccccc3C[NH+]3CCCC3)o2)cc1 ZINC000008340338 221038412 /nfs/dbraw/zinc/03/84/12/221038412.db2.gz CJDWQYLXLHYLRS-GOSISDBHSA-N 2 2 376.504 4.492 50 0 GIAALP O=C([C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccccc1)N1CCCC1 ZINC000008734374 221052647 /nfs/dbraw/zinc/05/26/47/221052647.db2.gz SSXHACWWYFQKSW-XMMPIXPASA-N 2 2 391.559 4.126 50 0 GIAALP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1cccc(Cl)c1 ZINC000010314090 221099932 /nfs/dbraw/zinc/09/99/32/221099932.db2.gz VIPBLMKKUQDYKM-UHFFFAOYSA-N 2 2 385.895 4.304 50 0 GIAALP COc1cccc(CC[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000012302440 221178403 /nfs/dbraw/zinc/17/84/03/221178403.db2.gz CVUWZTGEVUPHTG-JOCHJYFZSA-N 2 2 393.575 4.399 50 0 GIAALP COc1cccc(CC[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000012302440 221178407 /nfs/dbraw/zinc/17/84/07/221178407.db2.gz CVUWZTGEVUPHTG-JOCHJYFZSA-N 2 2 393.575 4.399 50 0 GIAALP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3cccc(F)c3F)C2)cc1 ZINC000014977755 221323933 /nfs/dbraw/zinc/32/39/33/221323933.db2.gz ITZLAMGWMWFIRL-LJQANCHMSA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3cccc(F)c3F)C2)cc1 ZINC000014977755 221323936 /nfs/dbraw/zinc/32/39/36/221323936.db2.gz ITZLAMGWMWFIRL-LJQANCHMSA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3cccc(F)c3F)C2)cc1 ZINC000014977755 221323939 /nfs/dbraw/zinc/32/39/39/221323939.db2.gz ITZLAMGWMWFIRL-LJQANCHMSA-N 2 2 388.502 4.360 50 0 GIAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3cccc(F)c3F)C2)cc1 ZINC000014977755 221323941 /nfs/dbraw/zinc/32/39/41/221323941.db2.gz ITZLAMGWMWFIRL-LJQANCHMSA-N 2 2 388.502 4.360 50 0 GIAALP Cc1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2F)C3)nc1C ZINC000015062907 221328288 /nfs/dbraw/zinc/32/82/88/221328288.db2.gz WZMMMDQZBLASAD-QHCPKHFHSA-N 2 2 382.527 4.029 50 0 GIAALP Cc1nc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2F)C3)nc1C ZINC000015062907 221328291 /nfs/dbraw/zinc/32/82/91/221328291.db2.gz WZMMMDQZBLASAD-QHCPKHFHSA-N 2 2 382.527 4.029 50 0 GIAALP Cc1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)nc1C ZINC000015062907 221328294 /nfs/dbraw/zinc/32/82/94/221328294.db2.gz WZMMMDQZBLASAD-QHCPKHFHSA-N 2 2 382.527 4.029 50 0 GIAALP Cc1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)nc1C ZINC000015062907 221328295 /nfs/dbraw/zinc/32/82/95/221328295.db2.gz WZMMMDQZBLASAD-QHCPKHFHSA-N 2 2 382.527 4.029 50 0 GIAALP CN(C)c1ccc([NH+]2CCC(Nc3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC000095990536 136182968 /nfs/dbraw/zinc/18/29/68/136182968.db2.gz QXQVQBVPZYTCAT-UHFFFAOYSA-N 2 2 378.564 4.429 50 0 GIAALP C[NH+](C)c1ccc(N2CCC(Nc3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC000095990536 136182969 /nfs/dbraw/zinc/18/29/69/136182969.db2.gz QXQVQBVPZYTCAT-UHFFFAOYSA-N 2 2 378.564 4.429 50 0 GIAALP C[C@@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012560219 570862158 /nfs/dbraw/zinc/86/21/58/570862158.db2.gz YDLTTXRVPYOILR-XXBNENTESA-N 2 2 388.515 4.277 50 0 GIAALP CCOc1ccc(C[NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1OC ZINC000097002580 570885940 /nfs/dbraw/zinc/88/59/40/570885940.db2.gz FIMOFHKWOPUHSO-IBGZPJMESA-N 2 2 398.547 4.084 50 0 GIAALP CCOc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(-n3cc[nH+]c3)cc1)O[C@@H](C)C2 ZINC000007984346 817975841 /nfs/dbraw/zinc/97/58/41/817975841.db2.gz ITQOEDQDJZSWPF-IRXDYDNUSA-N 2 2 377.488 4.445 50 0 GIAALP CCCn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc(C)c2)C3)c(C)n1 ZINC000019218095 818587839 /nfs/dbraw/zinc/58/78/39/818587839.db2.gz OHULEEKUGZPEGS-DEOSSOPVSA-N 2 2 380.580 4.398 50 0 GIAALP CCCn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc(C)c2)C3)c(C)n1 ZINC000019218095 818587849 /nfs/dbraw/zinc/58/78/49/818587849.db2.gz OHULEEKUGZPEGS-DEOSSOPVSA-N 2 2 380.580 4.398 50 0 GIAALP CCCn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)c(C)n1 ZINC000019218095 818587857 /nfs/dbraw/zinc/58/78/57/818587857.db2.gz OHULEEKUGZPEGS-DEOSSOPVSA-N 2 2 380.580 4.398 50 0 GIAALP CCCn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(C)c2)C3)c(C)n1 ZINC000019218095 818587866 /nfs/dbraw/zinc/58/78/66/818587866.db2.gz OHULEEKUGZPEGS-DEOSSOPVSA-N 2 2 380.580 4.398 50 0 GIAALP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000221818325 212114553 /nfs/dbraw/zinc/11/45/53/212114553.db2.gz YSCQDSZUPPIQJT-QZTJIDSGSA-N 2 2 390.487 4.409 50 0 GIAALP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000221818325 212114556 /nfs/dbraw/zinc/11/45/56/212114556.db2.gz YSCQDSZUPPIQJT-QZTJIDSGSA-N 2 2 390.487 4.409 50 0 GIAALP CC[N@@H+](Cc1ccc(COC)o1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012051155 221145531 /nfs/dbraw/zinc/14/55/31/221145531.db2.gz FUOCHNWQEZUGBJ-HXUWFJFHSA-N 2 2 388.527 4.342 50 0 GIAALP CC[N@H+](Cc1ccc(COC)o1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000012051155 221145533 /nfs/dbraw/zinc/14/55/33/221145533.db2.gz FUOCHNWQEZUGBJ-HXUWFJFHSA-N 2 2 388.527 4.342 50 0 GIAALP CC[NH+](Cc1ccc(COC)o1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012051155 221145535 /nfs/dbraw/zinc/14/55/35/221145535.db2.gz FUOCHNWQEZUGBJ-HXUWFJFHSA-N 2 2 388.527 4.342 50 0 GIAALP CC[NH+](Cc1ccc(COC)o1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012051155 221145536 /nfs/dbraw/zinc/14/55/36/221145536.db2.gz FUOCHNWQEZUGBJ-HXUWFJFHSA-N 2 2 388.527 4.342 50 0 GIAALP O=C([C@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)c1ccccc1)N1CCCCC1 ZINC000012903716 221243994 /nfs/dbraw/zinc/24/39/94/221243994.db2.gz LDJZGMLORUPDSM-XMMPIXPASA-N 2 2 391.559 4.126 50 0 GIAALP Cc1cc(N2CCC([NH2+][C@@H](C)c3nccs3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000095527902 136181708 /nfs/dbraw/zinc/18/17/08/136181708.db2.gz YPTUZZOWGCFDGD-INIZCTEOSA-N 2 2 379.533 4.228 50 0 GIAALP OCC[C@H]1CN(c2cc[nH+]c3c2cccc3C(F)(F)F)CC[N@@H+]1C1CCCC1 ZINC000107015355 136191729 /nfs/dbraw/zinc/19/17/29/136191729.db2.gz WOKORVOSMIFUDZ-INIZCTEOSA-N 2 2 393.453 4.069 50 0 GIAALP OCC[C@H]1CN(c2cc[nH+]c3c2cccc3C(F)(F)F)CC[N@H+]1C1CCCC1 ZINC000107015355 136191730 /nfs/dbraw/zinc/19/17/30/136191730.db2.gz WOKORVOSMIFUDZ-INIZCTEOSA-N 2 2 393.453 4.069 50 0 GIAALP COc1cccc(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000055242617 222018942 /nfs/dbraw/zinc/01/89/42/222018942.db2.gz YJBTXFWAIRYWDA-JOCHJYFZSA-N 2 2 392.543 4.255 50 0 GIAALP COc1cccc(C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000055242617 222018944 /nfs/dbraw/zinc/01/89/44/222018944.db2.gz YJBTXFWAIRYWDA-JOCHJYFZSA-N 2 2 392.543 4.255 50 0 GIAALP CC[NH+](CC)Cc1cccc(NC(=O)Cn2c3ccccc3[nH+]c2C2CC2)c1 ZINC000060342565 222060047 /nfs/dbraw/zinc/06/00/47/222060047.db2.gz IZHLMMIVWNQJKX-UHFFFAOYSA-N 2 2 376.504 4.394 50 0 GIAALP Cc1[nH+]ccn1CC[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067805118 222161643 /nfs/dbraw/zinc/16/16/43/222161643.db2.gz UAGLNJNEWJQXNI-UHFFFAOYSA-N 2 2 383.879 4.112 50 0 GIAALP Cc1[nH+]ccn1CC[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067805118 222161647 /nfs/dbraw/zinc/16/16/47/222161647.db2.gz UAGLNJNEWJQXNI-UHFFFAOYSA-N 2 2 383.879 4.112 50 0 GIAALP Cc1ccc(N[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccn4)CC3)C2)cc1C ZINC000019220334 525321314 /nfs/dbraw/zinc/32/13/14/525321314.db2.gz GPMDVDZQLCUJMZ-QHCPKHFHSA-N 2 2 378.564 4.239 50 0 GIAALP Cc1ccc(N[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccccn4)CC3)C2)cc1C ZINC000019220334 525321324 /nfs/dbraw/zinc/32/13/24/525321324.db2.gz GPMDVDZQLCUJMZ-QHCPKHFHSA-N 2 2 378.564 4.239 50 0 GIAALP CCCn1ncc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c1C ZINC000020203673 570247538 /nfs/dbraw/zinc/24/75/38/570247538.db2.gz OECUMCAFNRGZMB-OAQYLSRUSA-N 2 2 386.559 4.127 50 0 GIAALP CCCn1ncc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)c1C ZINC000020203673 570247539 /nfs/dbraw/zinc/24/75/39/570247539.db2.gz OECUMCAFNRGZMB-OAQYLSRUSA-N 2 2 386.559 4.127 50 0 GIAALP CCCn1ncc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c1C ZINC000020203673 570247543 /nfs/dbraw/zinc/24/75/43/570247543.db2.gz OECUMCAFNRGZMB-OAQYLSRUSA-N 2 2 386.559 4.127 50 0 GIAALP CCCn1ncc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c1C ZINC000020203673 570247544 /nfs/dbraw/zinc/24/75/44/570247544.db2.gz OECUMCAFNRGZMB-OAQYLSRUSA-N 2 2 386.559 4.127 50 0 GIAALP CCc1[nH+]c2ccccc2c(NC(=O)C[NH2+]CCc2c[nH]c3ccccc23)c1C ZINC000003144001 570730064 /nfs/dbraw/zinc/73/00/64/570730064.db2.gz DECUXTSWLOPBSI-UHFFFAOYSA-N 2 2 386.499 4.358 50 0 GIAALP C[C@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012560221 570862354 /nfs/dbraw/zinc/86/23/54/570862354.db2.gz YDLTTXRVPYOILR-CVDCTZTESA-N 2 2 388.515 4.277 50 0 GIAALP CCCCN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1ccc3occc3c1)CC2 ZINC000091933420 571036576 /nfs/dbraw/zinc/03/65/76/571036576.db2.gz QLALTONYBFHRLM-UHFFFAOYSA-N 2 2 378.520 4.305 50 0 GIAALP COCCO[C@H]1C[N@H+](C2CC[NH+](Cc3cccc(C)c3)CC2)C12CCCCC2 ZINC000575317581 823953781 /nfs/dbraw/zinc/95/37/81/823953781.db2.gz YTPXFJXAHRYDNA-QHCPKHFHSA-N 2 2 386.580 4.010 50 0 GIAALP COCCO[C@H]1C[N@@H+](C2CC[NH+](Cc3cccc(C)c3)CC2)C12CCCCC2 ZINC000575317581 823953786 /nfs/dbraw/zinc/95/37/86/823953786.db2.gz YTPXFJXAHRYDNA-QHCPKHFHSA-N 2 2 386.580 4.010 50 0 GIAALP Cc1ccc(C)c(-n2cc(C[N@H+](C)CCn3cc[nH+]c3)c(-c3ccccc3)n2)c1 ZINC000011819570 221129751 /nfs/dbraw/zinc/12/97/51/221129751.db2.gz WBBGAVPWXHIICM-UHFFFAOYSA-N 2 2 385.515 4.485 50 0 GIAALP Cc1ccc(C)c(-n2cc(C[N@@H+](C)CCn3cc[nH+]c3)c(-c3ccccc3)n2)c1 ZINC000011819570 221129753 /nfs/dbraw/zinc/12/97/53/221129753.db2.gz WBBGAVPWXHIICM-UHFFFAOYSA-N 2 2 385.515 4.485 50 0 GIAALP COCc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)o1 ZINC000011998310 221142246 /nfs/dbraw/zinc/14/22/46/221142246.db2.gz GXVTZFHEMYRSPA-IBGZPJMESA-N 2 2 390.955 4.466 50 0 GIAALP COCc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)o1 ZINC000011998310 221142251 /nfs/dbraw/zinc/14/22/51/221142251.db2.gz GXVTZFHEMYRSPA-IBGZPJMESA-N 2 2 390.955 4.466 50 0 GIAALP COCc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)o1 ZINC000011998310 221142253 /nfs/dbraw/zinc/14/22/53/221142253.db2.gz GXVTZFHEMYRSPA-IBGZPJMESA-N 2 2 390.955 4.466 50 0 GIAALP COCc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)o1 ZINC000011998310 221142257 /nfs/dbraw/zinc/14/22/57/221142257.db2.gz GXVTZFHEMYRSPA-IBGZPJMESA-N 2 2 390.955 4.466 50 0 GIAALP CC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)CC1 ZINC000015065294 221329230 /nfs/dbraw/zinc/32/92/30/221329230.db2.gz IRZBXVLLMGKHFG-OAQYLSRUSA-N 2 2 380.532 4.227 50 0 GIAALP CC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)CC1 ZINC000015065294 221329233 /nfs/dbraw/zinc/32/92/33/221329233.db2.gz IRZBXVLLMGKHFG-OAQYLSRUSA-N 2 2 380.532 4.227 50 0 GIAALP Cc1cc(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)[nH+]c2ccccc12 ZINC000095531498 136181814 /nfs/dbraw/zinc/18/18/14/136181814.db2.gz RXIIJLWKDWVNKT-IBGZPJMESA-N 3 2 377.536 4.075 50 0 GIAALP Cc1cc(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)[nH+]c2ccccc12 ZINC000095531499 136181875 /nfs/dbraw/zinc/18/18/75/136181875.db2.gz RXIIJLWKDWVNKT-LJQANCHMSA-N 3 2 377.536 4.075 50 0 GIAALP Cc1ccc(C)c(N2CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)c1 ZINC000023282577 570353753 /nfs/dbraw/zinc/35/37/53/570353753.db2.gz AUTZKZNAFCOAFR-UHFFFAOYSA-N 2 2 377.576 4.133 50 0 GIAALP C[C@@H]([NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012560215 570862321 /nfs/dbraw/zinc/86/23/21/570862321.db2.gz YDLTTXRVPYOILR-AUSIDOKSSA-N 2 2 388.515 4.277 50 0 GIAALP COc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cccs4)C3)C2)c1OC ZINC000020454479 818622093 /nfs/dbraw/zinc/62/20/93/818622093.db2.gz NYUDFZQPHBHPOI-QFIPXVFZSA-N 2 2 386.561 4.253 50 0 GIAALP COc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cccs4)C3)C2)c1OC ZINC000020454479 818622100 /nfs/dbraw/zinc/62/21/00/818622100.db2.gz NYUDFZQPHBHPOI-QFIPXVFZSA-N 2 2 386.561 4.253 50 0 GIAALP COc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cccs4)C3)C2)c1OC ZINC000020454479 818622107 /nfs/dbraw/zinc/62/21/07/818622107.db2.gz NYUDFZQPHBHPOI-QFIPXVFZSA-N 2 2 386.561 4.253 50 0 GIAALP COc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cccs4)C3)C2)c1OC ZINC000020454479 818622112 /nfs/dbraw/zinc/62/21/12/818622112.db2.gz NYUDFZQPHBHPOI-QFIPXVFZSA-N 2 2 386.561 4.253 50 0 GIAALP Cc1c(Cl)cccc1NC(=O)NCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000020889710 818635898 /nfs/dbraw/zinc/63/58/98/818635898.db2.gz BENQCSNDSOKANR-UHFFFAOYSA-N 2 2 392.975 4.110 50 0 GIAALP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000174407021 822786137 /nfs/dbraw/zinc/78/61/37/822786137.db2.gz TXAGXIUELIUCQG-LJQANCHMSA-N 2 2 380.960 4.250 50 0 GIAALP COCCO[C@@H]1C[N@H+](C2CC[NH+](Cc3cccc(C)c3)CC2)C12CCCCC2 ZINC000575317580 823954003 /nfs/dbraw/zinc/95/40/03/823954003.db2.gz YTPXFJXAHRYDNA-HSZRJFAPSA-N 2 2 386.580 4.010 50 0 GIAALP COCCO[C@@H]1C[N@@H+](C2CC[NH+](Cc3cccc(C)c3)CC2)C12CCCCC2 ZINC000575317580 823954013 /nfs/dbraw/zinc/95/40/13/823954013.db2.gz YTPXFJXAHRYDNA-HSZRJFAPSA-N 2 2 386.580 4.010 50 0 GIAALP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cccc(OC)c1OC ZINC000000809664 212183768 /nfs/dbraw/zinc/18/37/68/212183768.db2.gz PJJFYCLVBRWZBW-UHFFFAOYSA-N 2 2 382.508 4.007 50 0 GIAALP COc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1OCc1ccc(Cl)cc1 ZINC000010313995 221100530 /nfs/dbraw/zinc/10/05/30/221100530.db2.gz DHSLCDXSPJGHOU-UHFFFAOYSA-N 2 2 385.895 4.304 50 0 GIAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000011753571 221124800 /nfs/dbraw/zinc/12/48/00/221124800.db2.gz YRCIMTLLYIXAQJ-HXUWFJFHSA-N 2 2 378.516 4.468 50 0 GIAALP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)CC1 ZINC000011753571 221124802 /nfs/dbraw/zinc/12/48/02/221124802.db2.gz YRCIMTLLYIXAQJ-HXUWFJFHSA-N 2 2 378.516 4.468 50 0 GIAALP CCCn1cc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3C)C2)c(C)n1 ZINC000011814401 221126784 /nfs/dbraw/zinc/12/67/84/221126784.db2.gz HVSJRRAYVHUFMI-JOCHJYFZSA-N 2 2 382.596 4.296 50 0 GIAALP CCCn1cc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3C)C2)c(C)n1 ZINC000011814401 221126788 /nfs/dbraw/zinc/12/67/88/221126788.db2.gz HVSJRRAYVHUFMI-JOCHJYFZSA-N 2 2 382.596 4.296 50 0 GIAALP CCCn1cc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)c(C)n1 ZINC000011814401 221126790 /nfs/dbraw/zinc/12/67/90/221126790.db2.gz HVSJRRAYVHUFMI-JOCHJYFZSA-N 2 2 382.596 4.296 50 0 GIAALP CCCn1cc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccccc3C)C2)c(C)n1 ZINC000011814401 221126793 /nfs/dbraw/zinc/12/67/93/221126793.db2.gz HVSJRRAYVHUFMI-JOCHJYFZSA-N 2 2 382.596 4.296 50 0 GIAALP CN(C)c1ncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCCCC2)C3)s1 ZINC000012304260 221177726 /nfs/dbraw/zinc/17/77/26/221177726.db2.gz ZSYABBQRFQAEAL-NRFANRHFSA-N 2 2 376.614 4.077 50 0 GIAALP CN(C)c1ncc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCCCC2)C3)s1 ZINC000012304260 221177730 /nfs/dbraw/zinc/17/77/30/221177730.db2.gz ZSYABBQRFQAEAL-NRFANRHFSA-N 2 2 376.614 4.077 50 0 GIAALP CN(C)c1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)s1 ZINC000012304260 221177731 /nfs/dbraw/zinc/17/77/31/221177731.db2.gz ZSYABBQRFQAEAL-NRFANRHFSA-N 2 2 376.614 4.077 50 0 GIAALP CN(C)c1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)s1 ZINC000012304260 221177735 /nfs/dbraw/zinc/17/77/35/221177735.db2.gz ZSYABBQRFQAEAL-NRFANRHFSA-N 2 2 376.614 4.077 50 0 GIAALP CC(=O)Nc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2F)C3)cc1 ZINC000012572414 221208108 /nfs/dbraw/zinc/20/81/08/221208108.db2.gz KEMRLEWHEHQIGG-XMMPIXPASA-N 2 2 395.522 4.272 50 0 GIAALP CC(=O)Nc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2F)C3)cc1 ZINC000012572414 221208110 /nfs/dbraw/zinc/20/81/10/221208110.db2.gz KEMRLEWHEHQIGG-XMMPIXPASA-N 2 2 395.522 4.272 50 0 GIAALP CC(=O)Nc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)cc1 ZINC000012572414 221208112 /nfs/dbraw/zinc/20/81/12/221208112.db2.gz KEMRLEWHEHQIGG-XMMPIXPASA-N 2 2 395.522 4.272 50 0 GIAALP CC(=O)Nc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)cc1 ZINC000012572414 221208114 /nfs/dbraw/zinc/20/81/14/221208114.db2.gz KEMRLEWHEHQIGG-XMMPIXPASA-N 2 2 395.522 4.272 50 0 GIAALP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000017310494 221384032 /nfs/dbraw/zinc/38/40/32/221384032.db2.gz OGAAZYLKFGCECI-UHFFFAOYSA-N 2 2 392.522 4.382 50 0 GIAALP CC(C)Cn1c[nH+]cc1CN1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071750665 222190292 /nfs/dbraw/zinc/19/02/92/222190292.db2.gz AJRXRYYAZWTFHU-QHCPKHFHSA-N 2 2 386.559 4.411 50 0 GIAALP CC(C)Cn1c[nH+]cc1CN1CCC[N@@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071750665 222190296 /nfs/dbraw/zinc/19/02/96/222190296.db2.gz AJRXRYYAZWTFHU-QHCPKHFHSA-N 2 2 386.559 4.411 50 0 GIAALP C[N@@H+]1CCC[C@H]1CC[NH+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067655018 222154556 /nfs/dbraw/zinc/15/45/56/222154556.db2.gz INPMINPLJZJZQQ-FQEVSTJZSA-N 2 2 386.923 4.391 50 0 GIAALP C[N@H+]1CCC[C@H]1CC[NH+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067655018 222154558 /nfs/dbraw/zinc/15/45/58/222154558.db2.gz INPMINPLJZJZQQ-FQEVSTJZSA-N 2 2 386.923 4.391 50 0 GIAALP C[NH+]1CCC[C@H]1CC[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067655018 222154561 /nfs/dbraw/zinc/15/45/61/222154561.db2.gz INPMINPLJZJZQQ-FQEVSTJZSA-N 2 2 386.923 4.391 50 0 GIAALP C[NH+]1CCC[C@H]1CC[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067655018 222154564 /nfs/dbraw/zinc/15/45/64/222154564.db2.gz INPMINPLJZJZQQ-FQEVSTJZSA-N 2 2 386.923 4.391 50 0 GIAALP CCCCc1[nH]c(CN2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c[nH+]1 ZINC000072154747 222212192 /nfs/dbraw/zinc/21/21/92/222212192.db2.gz WJZUVOCRYJWOHC-GMKZXUHWSA-N 2 2 378.564 4.123 50 0 GIAALP