smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765757730 856451161 /nfs/dbraw/zinc/45/11/61/856451161.db2.gz FRYZOIMAMXWZPG-CVEARBPZSA-N 2 1 376.932 3.668 20 10 GHCDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1)CC1CC1 ZINC000775763097 873656957 /nfs/dbraw/zinc/65/69/57/873656957.db2.gz SOMFUFXGMHIGFY-UHFFFAOYSA-N 3 1 398.639 3.772 20 10 GHCDMP CC[N@H+](CCC1CC[NH+](Cc2ccc(N3CCN(C)CC3)cc2)CC1)CC1CC1 ZINC000775763097 873656962 /nfs/dbraw/zinc/65/69/62/873656962.db2.gz SOMFUFXGMHIGFY-UHFFFAOYSA-N 2 1 398.639 3.772 20 10 GHCDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(N3CCN(C)CC3)cc2)CC1)CC1CC1 ZINC000775763097 873656968 /nfs/dbraw/zinc/65/69/68/873656968.db2.gz SOMFUFXGMHIGFY-UHFFFAOYSA-N 2 1 398.639 3.772 20 10 GHCDMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(C(F)(F)F)c1O ZINC000788685371 878243379 /nfs/dbraw/zinc/24/33/79/878243379.db2.gz HMUYIACANAATAM-ZDUSSCGKSA-N 2 1 383.414 3.597 20 10 GHCDMP C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCN1c1cc[nH+]cc1 ZINC001183532849 912641468 /nfs/dbraw/zinc/64/14/68/912641468.db2.gz GZASBJGLXURUBN-HNNXBMFYSA-N 2 1 378.442 3.877 20 10 GHCDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCN1c1cc[nH+]cc1 ZINC001183532849 912641475 /nfs/dbraw/zinc/64/14/75/912641475.db2.gz GZASBJGLXURUBN-HNNXBMFYSA-N 2 1 378.442 3.877 20 10 GHCDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809739795 887775010 /nfs/dbraw/zinc/77/50/10/887775010.db2.gz SSOYQXLTUHYWAF-UHFFFAOYSA-N 2 1 385.527 3.746 20 10 GHCDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876643824 893270371 /nfs/dbraw/zinc/27/03/71/893270371.db2.gz OAYYGRVSQNNXIE-IRLDBZIGSA-N 2 1 385.596 3.734 20 10 GHCDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876643824 893270380 /nfs/dbraw/zinc/27/03/80/893270380.db2.gz OAYYGRVSQNNXIE-IRLDBZIGSA-N 2 1 385.596 3.734 20 10 GHCDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876643824 893270392 /nfs/dbraw/zinc/27/03/92/893270392.db2.gz OAYYGRVSQNNXIE-IRLDBZIGSA-N 2 1 385.596 3.734 20 10 GHCDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876643824 893270396 /nfs/dbraw/zinc/27/03/96/893270396.db2.gz OAYYGRVSQNNXIE-IRLDBZIGSA-N 2 1 385.596 3.734 20 10 GHCDMP C[NH+]1CCN(c2ccc(CNc3ccc(C[NH+]4CCCC4)cc3)cc2F)CC1 ZINC001177378775 908543774 /nfs/dbraw/zinc/54/37/74/908543774.db2.gz CBPGFDWOQQXUHT-UHFFFAOYSA-N 2 1 382.527 3.785 20 10 GHCDMP CN(Cc1cccs1)c1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000827856385 926084473 /nfs/dbraw/zinc/08/44/73/926084473.db2.gz NTHVYMOFDPRGRY-NRFANRHFSA-N 2 1 387.593 3.927 20 10 GHCDMP CN(Cc1cccs1)c1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000827856385 926084474 /nfs/dbraw/zinc/08/44/74/926084474.db2.gz NTHVYMOFDPRGRY-NRFANRHFSA-N 2 1 387.593 3.927 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000757997515 929883108 /nfs/dbraw/zinc/88/31/08/929883108.db2.gz OPGMURCKENOYQK-BJKOFHAPSA-N 2 1 397.538 3.930 20 10 GHCDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@H]2CCC[C@H]21 ZINC000796774125 932062073 /nfs/dbraw/zinc/06/20/73/932062073.db2.gz DCTJVPGTICPYDS-GEALJGNFSA-N 2 1 379.495 3.719 20 10 GHCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001116585396 933648104 /nfs/dbraw/zinc/64/81/04/933648104.db2.gz ZVJIACOHHOFXNL-WLRLJWMZSA-N 2 1 380.532 3.722 20 10 GHCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001116585396 933648109 /nfs/dbraw/zinc/64/81/09/933648109.db2.gz ZVJIACOHHOFXNL-WLRLJWMZSA-N 2 1 380.532 3.722 20 10 GHCDMP c1nc2n(c1C[NH+]1CCCCC1)CC[N@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001204322429 1032766846 /nfs/dbraw/zinc/76/68/46/1032766846.db2.gz KGIAELYACDXJDS-UHFFFAOYSA-N 2 1 393.579 3.528 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1OC ZINC000245541209 1021014354 /nfs/dbraw/zinc/01/43/54/1021014354.db2.gz NSSAOHUDHQLXHN-PZJWPPBQSA-N 2 1 396.531 3.896 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1OC ZINC000245541209 1021014358 /nfs/dbraw/zinc/01/43/58/1021014358.db2.gz NSSAOHUDHQLXHN-PZJWPPBQSA-N 2 1 396.531 3.896 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1OC ZINC000245541209 1021014361 /nfs/dbraw/zinc/01/43/61/1021014361.db2.gz NSSAOHUDHQLXHN-PZJWPPBQSA-N 2 1 396.531 3.896 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1OC ZINC000245541209 1021014365 /nfs/dbraw/zinc/01/43/65/1021014365.db2.gz NSSAOHUDHQLXHN-PZJWPPBQSA-N 2 1 396.531 3.896 20 10 GHCDMP Cc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(O)c(C(C)(C)C)c1 ZINC000755781909 1023376448 /nfs/dbraw/zinc/37/64/48/1023376448.db2.gz GIPXBYQEJQJZKS-WCRBZPEASA-N 2 1 385.596 3.741 20 10 GHCDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000756435180 1023646844 /nfs/dbraw/zinc/64/68/44/1023646844.db2.gz XPLAQHYCBZDHSG-FQEVSTJZSA-N 2 1 381.564 3.997 20 10 GHCDMP CC1(C)C=Cc2c(O)c(C[N@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)ccc2O1 ZINC001222614160 1030237220 /nfs/dbraw/zinc/23/72/20/1030237220.db2.gz AWTPXWQWHHQCET-HXUWFJFHSA-N 2 1 376.500 3.765 20 10 GHCDMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C1 ZINC001231586848 1034739272 /nfs/dbraw/zinc/73/92/72/1034739272.db2.gz MTKOEMRDTYKBOW-IBGZPJMESA-N 2 1 396.531 3.785 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(O)c1 ZINC001232838650 1038590013 /nfs/dbraw/zinc/59/00/13/1038590013.db2.gz IGKNAHFNCFZWRD-UHFFFAOYSA-N 2 1 379.548 3.946 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)c1 ZINC001232841057 1038592596 /nfs/dbraw/zinc/59/25/96/1038592596.db2.gz RDMBEBWZEOFWIJ-XMMPIXPASA-N 2 1 379.548 3.946 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(O)c1 ZINC001232841057 1038592604 /nfs/dbraw/zinc/59/26/04/1038592604.db2.gz RDMBEBWZEOFWIJ-XMMPIXPASA-N 2 1 379.548 3.946 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(O)c1 ZINC001232841057 1038592612 /nfs/dbraw/zinc/59/26/12/1038592612.db2.gz RDMBEBWZEOFWIJ-XMMPIXPASA-N 2 1 379.548 3.946 20 10 GHCDMP CC(C)(C)c1ccc(O)c(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1 ZINC001233285936 1039065329 /nfs/dbraw/zinc/06/53/29/1039065329.db2.gz YBCPFLPRGUKUKB-UHFFFAOYSA-N 2 1 396.579 3.930 20 10 GHCDMP Oc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001233454415 1039343331 /nfs/dbraw/zinc/34/33/31/1039343331.db2.gz UGBJVLYEKXAMMI-HDICACEKSA-N 2 1 376.422 3.975 20 10 GHCDMP Oc1cc(C(F)(F)F)ccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001233454415 1039343342 /nfs/dbraw/zinc/34/33/42/1039343342.db2.gz UGBJVLYEKXAMMI-HDICACEKSA-N 2 1 376.422 3.975 20 10 GHCDMP Oc1cc(C(F)(F)F)ccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001233454415 1039343355 /nfs/dbraw/zinc/34/33/55/1039343355.db2.gz UGBJVLYEKXAMMI-HDICACEKSA-N 2 1 376.422 3.975 20 10 GHCDMP CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC001234553167 1040122461 /nfs/dbraw/zinc/12/24/61/1040122461.db2.gz YFTVOLAMKOFHOO-IBGZPJMESA-N 2 1 384.520 3.629 20 10 GHCDMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC001234553167 1040122463 /nfs/dbraw/zinc/12/24/63/1040122463.db2.gz YFTVOLAMKOFHOO-IBGZPJMESA-N 2 1 384.520 3.629 20 10 GHCDMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC001234553167 1040122473 /nfs/dbraw/zinc/12/24/73/1040122473.db2.gz YFTVOLAMKOFHOO-IBGZPJMESA-N 2 1 384.520 3.629 20 10 GHCDMP Oc1ccc2cc(Br)ccc2c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC001235092171 1040581168 /nfs/dbraw/zinc/58/11/68/1040581168.db2.gz GRAVOIRDFDELFG-UHFFFAOYSA-N 2 1 375.310 3.883 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235375120 1040885943 /nfs/dbraw/zinc/88/59/43/1040885943.db2.gz YXOQKSJTXRIHJH-PGRDOPGGSA-N 2 1 386.923 3.807 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235375120 1040885948 /nfs/dbraw/zinc/88/59/48/1040885948.db2.gz YXOQKSJTXRIHJH-PGRDOPGGSA-N 2 1 386.923 3.807 20 10 GHCDMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C(C)(C)C)cc3O)CC2)C1 ZINC001235680111 1041144116 /nfs/dbraw/zinc/14/41/16/1041144116.db2.gz IDGQHGAQYRYDPW-GOSISDBHSA-N 2 1 388.552 3.539 20 10 GHCDMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C(C)(C)C)cc3O)CC2)C1 ZINC001235680111 1041144140 /nfs/dbraw/zinc/14/41/40/1041144140.db2.gz IDGQHGAQYRYDPW-GOSISDBHSA-N 2 1 388.552 3.539 20 10 GHCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235681799 1041147984 /nfs/dbraw/zinc/14/79/84/1041147984.db2.gz KYNRDVNWIVPYCD-URXFXBBRSA-N 2 1 386.580 3.870 20 10 GHCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235681799 1041147994 /nfs/dbraw/zinc/14/79/94/1041147994.db2.gz KYNRDVNWIVPYCD-URXFXBBRSA-N 2 1 386.580 3.870 20 10 GHCDMP Oc1cccc(Br)c1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235971837 1041475834 /nfs/dbraw/zinc/47/58/34/1041475834.db2.gz AYJCBCULUSOUNE-UHFFFAOYSA-N 2 1 387.321 3.792 20 10 GHCDMP FC(F)(F)Oc1ccc2c(c1)C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001236243234 1041641178 /nfs/dbraw/zinc/64/11/78/1041641178.db2.gz DYBQQHXHUQTMQA-UHFFFAOYSA-N 2 1 391.437 3.553 20 10 GHCDMP OCCCCCC[N@@H+](Cc1ccccc1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236313914 1041667906 /nfs/dbraw/zinc/66/79/06/1041667906.db2.gz DLLRXYZPYHEHIV-UHFFFAOYSA-N 2 1 381.564 3.651 20 10 GHCDMP CCOC(=O)c1c(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c2ccccc2n1C ZINC001236459484 1041722531 /nfs/dbraw/zinc/72/25/31/1041722531.db2.gz QPLITVPGPZLIEP-UHFFFAOYSA-N 2 1 385.552 3.955 20 10 GHCDMP CCOC(=O)c1c(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c2ccccc2n1C ZINC001236459484 1041722537 /nfs/dbraw/zinc/72/25/37/1041722537.db2.gz QPLITVPGPZLIEP-UHFFFAOYSA-N 2 1 385.552 3.955 20 10 GHCDMP COC(=O)c1cccc(C[N@@H+](Cc2c(C)ccc(C)c2O)C2CC[NH2+]CC2)c1 ZINC001236465032 1041727393 /nfs/dbraw/zinc/72/73/93/1041727393.db2.gz OOCXUYYSXFCDBX-UHFFFAOYSA-N 2 1 382.504 3.550 20 10 GHCDMP Cc1cc(F)ccc1C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC001236521720 1041752623 /nfs/dbraw/zinc/75/26/23/1041752623.db2.gz LWTJXLNXTBCEIQ-UHFFFAOYSA-N 2 1 397.538 3.725 20 10 GHCDMP Cc1cc(F)ccc1C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC001236521720 1041752627 /nfs/dbraw/zinc/75/26/27/1041752627.db2.gz LWTJXLNXTBCEIQ-UHFFFAOYSA-N 2 1 397.538 3.725 20 10 GHCDMP Cc1ccc(C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236722145 1041856310 /nfs/dbraw/zinc/85/63/10/1041856310.db2.gz FMGKYWZNGDUQSR-ALOJWSFFSA-N 3 1 392.591 3.677 20 10 GHCDMP COc1cc(C)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c(O)c1 ZINC001236811822 1041911253 /nfs/dbraw/zinc/91/12/53/1041911253.db2.gz VDUQXJFLGSTPME-UHFFFAOYSA-N 2 1 396.531 3.576 20 10 GHCDMP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001237462234 1042218181 /nfs/dbraw/zinc/21/81/81/1042218181.db2.gz HXXWCVQOBZQKKD-ZDUSSCGKSA-N 2 1 391.309 3.830 20 10 GHCDMP Cc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001238059534 1042478355 /nfs/dbraw/zinc/47/83/55/1042478355.db2.gz DFZFWBPVOMTBTB-MTNREXPMSA-N 2 1 383.511 3.967 20 10 GHCDMP Cc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001238059534 1042478358 /nfs/dbraw/zinc/47/83/58/1042478358.db2.gz DFZFWBPVOMTBTB-MTNREXPMSA-N 2 1 383.511 3.967 20 10 GHCDMP Cc1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001238059534 1042478359 /nfs/dbraw/zinc/47/83/59/1042478359.db2.gz DFZFWBPVOMTBTB-MTNREXPMSA-N 2 1 383.511 3.967 20 10 GHCDMP Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001238059534 1042478361 /nfs/dbraw/zinc/47/83/61/1042478361.db2.gz DFZFWBPVOMTBTB-MTNREXPMSA-N 2 1 383.511 3.967 20 10 GHCDMP CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337082508 1052394732 /nfs/dbraw/zinc/39/47/32/1052394732.db2.gz KOCQMJRXWLCDNC-OPAMFIHVSA-N 2 1 389.490 3.582 20 10 GHCDMP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccc(F)cc1F ZINC001474025395 1074239824 /nfs/dbraw/zinc/23/98/24/1074239824.db2.gz WHLBSPVAWFASGI-OAHLLOKOSA-N 2 1 377.454 3.749 20 10 GHCDMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)c(O)c1OC ZINC000892580531 836741114 /nfs/dbraw/zinc/74/11/14/836741114.db2.gz LTCRASULUYPQJQ-QGZVFWFLSA-N 2 1 384.520 3.931 20 10 GHCDMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000125775840 843123781 /nfs/dbraw/zinc/12/37/81/843123781.db2.gz CFLQEBLIXNENAS-ZWKOTPCHSA-N 2 1 379.976 3.948 20 10 GHCDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000125775840 843123785 /nfs/dbraw/zinc/12/37/85/843123785.db2.gz CFLQEBLIXNENAS-ZWKOTPCHSA-N 2 1 379.976 3.948 20 10 GHCDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(O)cccc3Cl)C2)ccn1 ZINC000856552721 881379653 /nfs/dbraw/zinc/37/96/53/881379653.db2.gz GJGHZALFOVBIGV-QGZVFWFLSA-N 2 1 375.900 3.546 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)ccn1 ZINC000856552721 881379672 /nfs/dbraw/zinc/37/96/72/881379672.db2.gz GJGHZALFOVBIGV-QGZVFWFLSA-N 2 1 375.900 3.546 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C2)ccn1 ZINC000856552721 881379690 /nfs/dbraw/zinc/37/96/90/881379690.db2.gz GJGHZALFOVBIGV-QGZVFWFLSA-N 2 1 375.900 3.546 20 10 GHCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000764464190 859457706 /nfs/dbraw/zinc/45/77/06/859457706.db2.gz MCWIJHDWWBDPCR-WIYYLYMNSA-N 2 1 386.609 3.844 20 10 GHCDMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764968757 859713129 /nfs/dbraw/zinc/71/31/29/859713129.db2.gz CKZWRXXXKQEWKB-CEXWTWQISA-N 2 1 377.548 3.681 20 10 GHCDMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cc4oc5ccccc5c4cc3O)CC2)C1 ZINC000738210626 865503549 /nfs/dbraw/zinc/50/35/49/865503549.db2.gz CWZWHKZGBSHXQX-SFHVURJKSA-N 2 1 379.504 3.503 20 10 GHCDMP CCCN(CCC)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000769523655 874130627 /nfs/dbraw/zinc/13/06/27/874130627.db2.gz CLVWGQUDNXIZLI-QPPBQGQZSA-N 2 1 386.628 3.771 20 10 GHCDMP CN(C)c1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1F ZINC000769528719 874135136 /nfs/dbraw/zinc/13/51/36/874135136.db2.gz YFXNLCFWACLKRZ-UHFFFAOYSA-N 3 1 390.591 3.520 20 10 GHCDMP CN(C)c1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1F ZINC000769528719 874135143 /nfs/dbraw/zinc/13/51/43/874135143.db2.gz YFXNLCFWACLKRZ-UHFFFAOYSA-N 3 1 390.591 3.520 20 10 GHCDMP CN(C)c1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1F ZINC000769528719 874135147 /nfs/dbraw/zinc/13/51/47/874135147.db2.gz YFXNLCFWACLKRZ-UHFFFAOYSA-N 3 1 390.591 3.520 20 10 GHCDMP CCN(CC)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1F ZINC000850357250 876846909 /nfs/dbraw/zinc/84/69/09/876846909.db2.gz CKGABAFLBGXACP-OAQYLSRUSA-N 2 1 385.527 3.528 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(C(F)(F)F)c1O ZINC000850509757 876981359 /nfs/dbraw/zinc/98/13/59/876981359.db2.gz RZKVWRJBKGOGOS-YOEHRIQHSA-N 2 1 394.437 3.828 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(C(F)(F)F)c1O ZINC000850509757 876981369 /nfs/dbraw/zinc/98/13/69/876981369.db2.gz RZKVWRJBKGOGOS-YOEHRIQHSA-N 2 1 394.437 3.828 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1O ZINC000788736684 878311313 /nfs/dbraw/zinc/31/13/13/878311313.db2.gz WOAQXPMUFULCRL-PBHICJAKSA-N 2 1 394.437 3.828 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1O ZINC000788736684 878311332 /nfs/dbraw/zinc/31/13/32/878311332.db2.gz WOAQXPMUFULCRL-PBHICJAKSA-N 2 1 394.437 3.828 20 10 GHCDMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccc(N5CCOCC5)cc4)C3)C2)cc1 ZINC000809704077 887723252 /nfs/dbraw/zinc/72/32/52/887723252.db2.gz UXIMLEUPCBQYLT-RUZDIDTESA-N 2 1 391.559 3.621 20 10 GHCDMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccc(N5CCOCC5)cc4)C3)C2)cc1 ZINC000809704077 887723265 /nfs/dbraw/zinc/72/32/65/887723265.db2.gz UXIMLEUPCBQYLT-RUZDIDTESA-N 2 1 391.559 3.621 20 10 GHCDMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccc(N5CCOCC5)cc4)C3)C2)cc1 ZINC000809704077 887723280 /nfs/dbraw/zinc/72/32/80/887723280.db2.gz UXIMLEUPCBQYLT-RUZDIDTESA-N 2 1 391.559 3.621 20 10 GHCDMP Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC001185271531 913769707 /nfs/dbraw/zinc/76/97/07/913769707.db2.gz ABUGHFPXMYBAKR-CQSZACIVSA-N 2 1 385.817 3.958 20 10 GHCDMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4c(O)cc(O)cc4O)CC3)C2)cc1 ZINC001144508133 902289519 /nfs/dbraw/zinc/28/95/19/902289519.db2.gz JDEGOGXOPREIGB-UHFFFAOYSA-N 2 1 396.531 3.990 20 10 GHCDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc(N(C)C)cc3)CC2)c1C ZINC000193462572 908406964 /nfs/dbraw/zinc/40/69/64/908406964.db2.gz QXMRAEBWZXAYTA-UHFFFAOYSA-N 2 1 396.579 3.869 20 10 GHCDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc(N(C)C)cc3)CC2)c1C ZINC000193462572 908406984 /nfs/dbraw/zinc/40/69/84/908406984.db2.gz QXMRAEBWZXAYTA-UHFFFAOYSA-N 2 1 396.579 3.869 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccccc3)C3CCOCC3)cc2F)CC1 ZINC001177860384 908780281 /nfs/dbraw/zinc/78/02/81/908780281.db2.gz WGUHDNYATOQKNU-XMMPIXPASA-N 2 1 397.538 3.835 20 10 GHCDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000800894284 1021346584 /nfs/dbraw/zinc/34/65/84/1021346584.db2.gz PVUURNHWJNMZRZ-XMMPIXPASA-N 2 1 393.575 3.914 20 10 GHCDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000800894284 1021346602 /nfs/dbraw/zinc/34/66/02/1021346602.db2.gz PVUURNHWJNMZRZ-XMMPIXPASA-N 2 1 393.575 3.914 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](C(=O)c4ccccc4)C3)cc2)CC1 ZINC001140309612 1021370425 /nfs/dbraw/zinc/37/04/25/1021370425.db2.gz NTEAGUOUYJUVMM-QFIPXVFZSA-N 2 1 377.532 3.533 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140973717 1023049699 /nfs/dbraw/zinc/04/96/99/1023049699.db2.gz QAMFVUPRWUOWPT-UHFFFAOYSA-N 2 1 378.564 3.671 20 10 GHCDMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1O)CC2 ZINC001138125259 1024168839 /nfs/dbraw/zinc/16/88/39/1024168839.db2.gz MJVRVQQDQXXLOT-HXUWFJFHSA-N 2 1 384.495 3.787 20 10 GHCDMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1O)CC2 ZINC001138125259 1024168844 /nfs/dbraw/zinc/16/88/44/1024168844.db2.gz MJVRVQQDQXXLOT-HXUWFJFHSA-N 2 1 384.495 3.787 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](OCc4ccccc4)C3)cc2)CC1 ZINC001139413318 1026286130 /nfs/dbraw/zinc/28/61/30/1026286130.db2.gz UFJIWCJDZYPWHI-DEOSSOPVSA-N 2 1 379.548 3.620 20 10 GHCDMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140054282 1026833856 /nfs/dbraw/zinc/83/38/56/1026833856.db2.gz OJAOSBRDIOFCCU-SFHVURJKSA-N 2 1 390.524 3.848 20 10 GHCDMP Cc1ccc(C)c(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1O ZINC001140178854 1026951678 /nfs/dbraw/zinc/95/16/78/1026951678.db2.gz ABMGUNMKOWWECW-UHFFFAOYSA-N 2 1 395.547 3.519 20 10 GHCDMP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001203610164 1027474793 /nfs/dbraw/zinc/47/47/93/1027474793.db2.gz XLNZUBJZYITTGV-YUXAGFNASA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001203610164 1027474802 /nfs/dbraw/zinc/47/48/02/1027474802.db2.gz XLNZUBJZYITTGV-YUXAGFNASA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001203610164 1027474809 /nfs/dbraw/zinc/47/48/09/1027474809.db2.gz XLNZUBJZYITTGV-YUXAGFNASA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001203610164 1027474822 /nfs/dbraw/zinc/47/48/22/1027474822.db2.gz XLNZUBJZYITTGV-YUXAGFNASA-N 2 1 395.547 3.918 20 10 GHCDMP COc1ccc(O)c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001203672881 1027524117 /nfs/dbraw/zinc/52/41/17/1027524117.db2.gz GZXWCJBSDGQORM-OAQYLSRUSA-N 2 1 396.531 3.656 20 10 GHCDMP CN(C)c1ccc([C@H]([NH3+])CNC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000841045262 1028066854 /nfs/dbraw/zinc/06/68/54/1028066854.db2.gz JPUASIZMSBDELW-JOCHJYFZSA-N 2 1 386.971 3.660 20 10 GHCDMP Cc1cc(C)c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c(O)c1 ZINC001231844758 1034938899 /nfs/dbraw/zinc/93/88/99/1034938899.db2.gz PHNAIAPYSGEKDN-OAQYLSRUSA-N 2 1 395.547 3.660 20 10 GHCDMP COc1cc(N(C)C)ccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001231851802 1034942876 /nfs/dbraw/zinc/94/28/76/1034942876.db2.gz CNLYHTKPYJAVST-VXKWHMMOSA-N 2 1 379.548 3.633 20 10 GHCDMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(O)c1OC ZINC001462282137 1070141282 /nfs/dbraw/zinc/14/12/82/1070141282.db2.gz JCNPKBCIHBWQLA-UHFFFAOYSA-N 2 1 396.531 3.898 20 10 GHCDMP CCOC(=O)c1c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c2ccccc2n1C ZINC001233272381 1039038135 /nfs/dbraw/zinc/03/81/35/1039038135.db2.gz JCJIAABWGAHAAQ-UHFFFAOYSA-N 2 1 385.552 3.907 20 10 GHCDMP Oc1cc(O)c(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)cc1O ZINC001233487155 1039381608 /nfs/dbraw/zinc/38/16/08/1039381608.db2.gz SAOUWAKMENWMBQ-UHFFFAOYSA-N 2 1 382.504 3.682 20 10 GHCDMP Oc1ccc(Br)cc1C[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236286768 1041661132 /nfs/dbraw/zinc/66/11/32/1041661132.db2.gz ORMFGZJIVIOZBF-UHFFFAOYSA-N 2 1 375.310 3.909 20 10 GHCDMP COc1cc(Br)cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1O ZINC001236374401 1041686519 /nfs/dbraw/zinc/68/65/19/1041686519.db2.gz QNYSXWOJPZOJID-CQSZACIVSA-N 2 1 397.357 3.908 20 10 GHCDMP COc1cc(O)c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1Br ZINC001236376075 1041687685 /nfs/dbraw/zinc/68/76/85/1041687685.db2.gz OXLNGECAUBBTIQ-AWEZNQCLSA-N 2 1 397.357 3.908 20 10 GHCDMP COc1cc(O)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc1Br ZINC001236376075 1041687689 /nfs/dbraw/zinc/68/76/89/1041687689.db2.gz OXLNGECAUBBTIQ-AWEZNQCLSA-N 2 1 397.357 3.908 20 10 GHCDMP CC(C)(C)C[N@@H+](Cc1cc(O)c(Br)cc1O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236778842 1041887101 /nfs/dbraw/zinc/88/71/01/1041887101.db2.gz ARZAHCRURLYMLE-HDJSIYSDSA-N 2 1 385.346 3.978 20 10 GHCDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236794148 1041897769 /nfs/dbraw/zinc/89/77/69/1041897769.db2.gz SNWUSWPIZAZYJA-UZLBHIALSA-N 2 1 399.362 3.879 20 10 GHCDMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001236794148 1041897771 /nfs/dbraw/zinc/89/77/71/1041897771.db2.gz SNWUSWPIZAZYJA-UZLBHIALSA-N 2 1 399.362 3.879 20 10 GHCDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001236794148 1041897777 /nfs/dbraw/zinc/89/77/77/1041897777.db2.gz SNWUSWPIZAZYJA-UZLBHIALSA-N 2 1 399.362 3.879 20 10 GHCDMP CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236968654 1041972614 /nfs/dbraw/zinc/97/26/14/1041972614.db2.gz UJLGYFTVXJRWOF-UHFFFAOYSA-N 2 1 384.543 3.666 20 10 GHCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236968654 1041972617 /nfs/dbraw/zinc/97/26/17/1041972617.db2.gz UJLGYFTVXJRWOF-UHFFFAOYSA-N 2 1 384.543 3.666 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4Nc5ccc(Cl)cc5[C@@H]4C3)cc2)CC1 ZINC001237229596 1042097562 /nfs/dbraw/zinc/09/75/62/1042097562.db2.gz DGNBPXCZCXKVOF-JTHBVZDNSA-N 2 1 396.966 3.875 20 10 GHCDMP C[NH+]1CCN(c2ccc(CN[C@H](C[NH3+])c3ccc4ccccc4c3)cc2F)CC1 ZINC001261370160 1045983167 /nfs/dbraw/zinc/98/31/67/1045983167.db2.gz APLMFUNEJWEIMM-HSZRJFAPSA-N 2 1 392.522 3.520 20 10 GHCDMP CC[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Oc1ccccc1C ZINC001308291792 1049940367 /nfs/dbraw/zinc/94/03/67/1049940367.db2.gz YKKQHJULEREZPC-FQEVSTJZSA-N 2 1 385.527 3.833 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3c(F)cccc3OC(F)(F)F)cc2)CC1 ZINC001308503552 1049992411 /nfs/dbraw/zinc/99/24/11/1049992411.db2.gz NOOXDIWITQTMBU-UHFFFAOYSA-N 2 1 397.416 3.766 20 10 GHCDMP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Oc1cccc(Cl)c1 ZINC001318777578 1054865411 /nfs/dbraw/zinc/86/54/11/1054865411.db2.gz MEFBMENZCRLDST-MRXNPFEDSA-N 2 1 391.918 3.788 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@]4(C3)OCc3ccccc34)cc2F)CC1 ZINC001320717586 1055938635 /nfs/dbraw/zinc/93/86/35/1055938635.db2.gz LLBKLARDGBGDEK-DEOSSOPVSA-N 2 1 395.522 3.599 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@]4(C3)OCc3ccccc34)cc2F)CC1 ZINC001320717586 1055938636 /nfs/dbraw/zinc/93/86/36/1055938636.db2.gz LLBKLARDGBGDEK-DEOSSOPVSA-N 2 1 395.522 3.599 20 10 GHCDMP Oc1c(Br)cccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904477454 860469664 /nfs/dbraw/zinc/46/96/64/860469664.db2.gz XGAPBYCOKVXLRP-APWZRJJASA-N 2 1 389.293 3.500 20 10 GHCDMP CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001170423058 881823136 /nfs/dbraw/zinc/82/31/36/881823136.db2.gz BGIAODBRJJFYGZ-IBGZPJMESA-N 2 1 382.504 3.696 20 10 GHCDMP OC1CCN(c2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc2F)CC1 ZINC000151511873 867901433 /nfs/dbraw/zinc/90/14/33/867901433.db2.gz TZRSWMXXDPBIJS-UHFFFAOYSA-N 2 1 389.559 3.674 20 10 GHCDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3c(O)ccc4cc(Br)ccc43)C2)C1 ZINC000793765541 882393147 /nfs/dbraw/zinc/39/31/47/882393147.db2.gz JRPIBAHSSHYZCX-IBGZPJMESA-N 2 1 375.310 3.836 20 10 GHCDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3c(O)ccc4cc(Br)ccc43)C2)C1 ZINC000793765541 882393167 /nfs/dbraw/zinc/39/31/67/882393167.db2.gz JRPIBAHSSHYZCX-IBGZPJMESA-N 2 1 375.310 3.836 20 10 GHCDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c(O)ccc4cc(Br)ccc43)C2)C1 ZINC000793765541 882393187 /nfs/dbraw/zinc/39/31/87/882393187.db2.gz JRPIBAHSSHYZCX-IBGZPJMESA-N 2 1 375.310 3.836 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C[C@@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000775738266 873318341 /nfs/dbraw/zinc/31/83/41/873318341.db2.gz XWQFGSFTVWPHOJ-DNQXCXABSA-N 2 1 397.538 3.666 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCCC[C@@H]3C[C@@H](O)c3ccco3)cc2)CC1 ZINC000775738164 873322123 /nfs/dbraw/zinc/32/21/23/873322123.db2.gz USNQXUSQEUMLJG-DHIUTWEWSA-N 2 1 397.563 3.900 20 10 GHCDMP Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000775741410 873345957 /nfs/dbraw/zinc/34/59/57/873345957.db2.gz YMAALMRRVCJQJR-KSSFIOAISA-N 2 1 379.342 3.912 20 10 GHCDMP Cc1cc(Br)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000775741410 873345975 /nfs/dbraw/zinc/34/59/75/873345975.db2.gz YMAALMRRVCJQJR-KSSFIOAISA-N 2 1 379.342 3.912 20 10 GHCDMP Cc1cc(Br)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000775741410 873345991 /nfs/dbraw/zinc/34/59/91/873345991.db2.gz YMAALMRRVCJQJR-KSSFIOAISA-N 2 1 379.342 3.912 20 10 GHCDMP Cc1cc(Br)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000775741410 873346006 /nfs/dbraw/zinc/34/60/06/873346006.db2.gz YMAALMRRVCJQJR-KSSFIOAISA-N 2 1 379.342 3.912 20 10 GHCDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000769513850 874120816 /nfs/dbraw/zinc/12/08/16/874120816.db2.gz IOMYRSGEPMUPNV-UHFFFAOYSA-N 2 1 399.373 3.725 20 10 GHCDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC001199335973 874934426 /nfs/dbraw/zinc/93/44/26/874934426.db2.gz FLGYEFCDIFHZDA-BQYQJAHWSA-N 2 1 392.591 3.693 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]C3(Cc4cccc(F)c4)CCC3)cc2F)CC1 ZINC001202083914 875995680 /nfs/dbraw/zinc/99/56/80/875995680.db2.gz MMBCAJSALBPFJI-UHFFFAOYSA-N 2 1 385.502 3.972 20 10 GHCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000850406555 876888148 /nfs/dbraw/zinc/88/81/48/876888148.db2.gz LFRXAXXABNYTBI-NFBKMPQASA-N 2 1 393.575 3.790 20 10 GHCDMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000853241049 878924372 /nfs/dbraw/zinc/92/43/72/878924372.db2.gz SORQAZYBOPBDIP-HKUYNNGSSA-N 2 1 391.987 3.949 20 10 GHCDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000853241049 878924383 /nfs/dbraw/zinc/92/43/83/878924383.db2.gz SORQAZYBOPBDIP-HKUYNNGSSA-N 2 1 391.987 3.949 20 10 GHCDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762648115 886615641 /nfs/dbraw/zinc/61/56/41/886615641.db2.gz HQBDDKJEQMYAGV-MOPGFXCFSA-N 2 1 377.548 3.968 20 10 GHCDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)CC1 ZINC000876644489 893270153 /nfs/dbraw/zinc/27/01/53/893270153.db2.gz YBGQGVSLZKUDDY-JOCHJYFZSA-N 2 1 385.596 3.592 20 10 GHCDMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc3ccccc3c2O)c2cccs2)CC1 ZINC000816528650 894897015 /nfs/dbraw/zinc/89/70/15/894897015.db2.gz LFGLVIGDBKQYKI-HXUWFJFHSA-N 2 1 381.545 3.685 20 10 GHCDMP Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000825216183 900031343 /nfs/dbraw/zinc/03/13/43/900031343.db2.gz ZISTYXCEPBDYOC-KRWDZBQOSA-N 2 1 389.337 3.809 20 10 GHCDMP Oc1cc(O)c(CC[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1O ZINC001172066197 905330899 /nfs/dbraw/zinc/33/08/99/905330899.db2.gz UTDMYHWOLYEXKG-OWZKRDHZSA-N 2 1 382.504 3.521 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336871 912204698 /nfs/dbraw/zinc/20/46/98/912204698.db2.gz LCWSMFSZJQIDJN-QFIPXVFZSA-N 2 1 397.538 3.616 20 10 GHCDMP C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336871 912204726 /nfs/dbraw/zinc/20/47/26/912204726.db2.gz LCWSMFSZJQIDJN-QFIPXVFZSA-N 2 1 397.538 3.616 20 10 GHCDMP C[NH+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336871 912204741 /nfs/dbraw/zinc/20/47/41/912204741.db2.gz LCWSMFSZJQIDJN-QFIPXVFZSA-N 2 1 397.538 3.616 20 10 GHCDMP C[NH+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336871 912204752 /nfs/dbraw/zinc/20/47/52/912204752.db2.gz LCWSMFSZJQIDJN-QFIPXVFZSA-N 2 1 397.538 3.616 20 10 GHCDMP CO[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116478308 933581929 /nfs/dbraw/zinc/58/19/29/933581929.db2.gz DUUCQFXCRSLXTK-OPAMFIHVSA-N 2 1 389.490 3.582 20 10 GHCDMP Clc1cc(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c2c(n1)C[NH2+]CC2 ZINC001155640798 1032617887 /nfs/dbraw/zinc/61/78/87/1032617887.db2.gz MPBBAMJECJHXIJ-PYDOFHOQSA-N 2 1 398.982 3.780 20 10 GHCDMP Oc1cccc2c1[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CC13CCOCC3)CC2 ZINC000834811024 1021506729 /nfs/dbraw/zinc/50/67/29/1021506729.db2.gz LWBVGBDHFHOJIN-FGZHOGPDSA-N 2 1 392.543 3.898 20 10 GHCDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC001204584966 1032985857 /nfs/dbraw/zinc/98/58/57/1032985857.db2.gz KEFFPAGSBZCKAE-UHFFFAOYSA-N 2 1 399.373 3.725 20 10 GHCDMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC001140621831 1022094318 /nfs/dbraw/zinc/09/43/18/1022094318.db2.gz QYAJERZQHBBDGC-JOCHJYFZSA-N 2 1 395.547 3.599 20 10 GHCDMP CC[N@@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC001139253185 1026103720 /nfs/dbraw/zinc/10/37/20/1026103720.db2.gz PCOWTENJLCFGOZ-QGZVFWFLSA-N 2 1 386.536 3.924 20 10 GHCDMP COc1cccc(C[C@H]2CCC[N@@H+](Cc3cc(C[NH+](C)C)c(O)c(OC)c3)C2)c1 ZINC001139260036 1026110233 /nfs/dbraw/zinc/11/02/33/1026110233.db2.gz IGCMXJBPUIECEW-LJQANCHMSA-N 2 1 398.547 3.926 20 10 GHCDMP COc1cc(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139259800 1026110269 /nfs/dbraw/zinc/11/02/69/1026110269.db2.gz BTDLVPYWTMSTSA-RTBURBONSA-N 2 1 397.563 3.557 20 10 GHCDMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001139411433 1026283960 /nfs/dbraw/zinc/28/39/60/1026283960.db2.gz LOGUKSRAZAZDIM-QHCPKHFHSA-N 2 1 393.531 3.562 20 10 GHCDMP COc1cccc([C@H]2CSCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001139411550 1026284073 /nfs/dbraw/zinc/28/40/73/1026284073.db2.gz RGKMXQJXTXTZTH-HSZRJFAPSA-N 2 1 397.588 3.737 20 10 GHCDMP COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001203674859 1027525495 /nfs/dbraw/zinc/52/54/95/1027525495.db2.gz DIHHJDLQCKLXDD-WTOYTKOKSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001203674859 1027525504 /nfs/dbraw/zinc/52/55/04/1027525504.db2.gz DIHHJDLQCKLXDD-WTOYTKOKSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(O)c(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001203674859 1027525517 /nfs/dbraw/zinc/52/55/17/1027525517.db2.gz DIHHJDLQCKLXDD-WTOYTKOKSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(O)c(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001203674859 1027525525 /nfs/dbraw/zinc/52/55/25/1027525525.db2.gz DIHHJDLQCKLXDD-WTOYTKOKSA-N 2 1 381.520 3.528 20 10 GHCDMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000843050871 1029786534 /nfs/dbraw/zinc/78/65/34/1029786534.db2.gz AKNIXZSGGLVOGQ-WBVHZDCISA-N 2 1 380.374 3.999 20 10 GHCDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000843050871 1029786541 /nfs/dbraw/zinc/78/65/41/1029786541.db2.gz AKNIXZSGGLVOGQ-WBVHZDCISA-N 2 1 380.374 3.999 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cc1OC ZINC000843106534 1029812162 /nfs/dbraw/zinc/81/21/62/1029812162.db2.gz BIVWJRAGEGSGLD-AZUAARDMSA-N 2 1 384.520 3.582 20 10 GHCDMP Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(O)cc1Br ZINC001222615211 1030239828 /nfs/dbraw/zinc/23/98/28/1030239828.db2.gz NKKMJXFLPCWHDJ-KRWDZBQOSA-N 2 1 387.321 3.652 20 10 GHCDMP Cc1cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(O)cc1Br ZINC001222615211 1030239844 /nfs/dbraw/zinc/23/98/44/1030239844.db2.gz NKKMJXFLPCWHDJ-KRWDZBQOSA-N 2 1 387.321 3.652 20 10 GHCDMP CC(C)(C)[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246994235 1037819275 /nfs/dbraw/zinc/81/92/75/1037819275.db2.gz JJANGGIPOHPDJD-WMZOPIPTSA-N 2 1 385.474 3.874 20 10 GHCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H](c3ccc(C(F)(F)F)cc3)C1)C[NH2+]CCO2 ZINC001235918409 1041429679 /nfs/dbraw/zinc/42/96/79/1041429679.db2.gz DQVOJTLWHQPZEG-HNNXBMFYSA-N 2 1 392.421 3.883 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c(O)c1 ZINC001235972625 1041478037 /nfs/dbraw/zinc/47/80/37/1041478037.db2.gz HIIBADFBEUAWAY-UHFFFAOYSA-N 2 1 379.548 3.875 20 10 GHCDMP C[N@@H+](CCC=C1c2ccccc2CCc2ccccc21)CC[C@H]1C[NH2+]CCO1 ZINC001236102785 1041534405 /nfs/dbraw/zinc/53/44/05/1041534405.db2.gz RZZCLCVVEMMCOW-QFIPXVFZSA-N 2 1 376.544 3.917 20 10 GHCDMP CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236240625 1041639800 /nfs/dbraw/zinc/63/98/00/1041639800.db2.gz RBHHYZHWFDQBHE-UHFFFAOYSA-N 2 1 393.453 3.843 20 10 GHCDMP Clc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)ccc1N1CCOCC1 ZINC001236375296 1041687565 /nfs/dbraw/zinc/68/75/65/1041687565.db2.gz IWBNRXJKGBBEMR-LJQANCHMSA-N 2 1 391.987 3.921 20 10 GHCDMP CC(C)(C)C[N@H+](Cc1ccc(N2CCOCC2)cc1Cl)C1CC[NH2+]CC1 ZINC001236459446 1041722580 /nfs/dbraw/zinc/72/25/80/1041722580.db2.gz OSJLIGLWSIHYAK-UHFFFAOYSA-N 2 1 379.976 3.777 20 10 GHCDMP CC(C)(C)C[N@@H+](Cc1ccc(N2CCOCC2)cc1Cl)C1CC[NH2+]CC1 ZINC001236459446 1041722588 /nfs/dbraw/zinc/72/25/88/1041722588.db2.gz OSJLIGLWSIHYAK-UHFFFAOYSA-N 2 1 379.976 3.777 20 10 GHCDMP COc1cc(C[N@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)c(O)c(OC)c1 ZINC001236511265 1041747410 /nfs/dbraw/zinc/74/74/10/1041747410.db2.gz MRHOWERICFVIQV-UHFFFAOYSA-N 2 1 388.483 3.611 20 10 GHCDMP COc1cc(C[N@@H+](Cc2cc(F)ccc2C)C2CC[NH2+]CC2)c(O)c(OC)c1 ZINC001236511265 1041747414 /nfs/dbraw/zinc/74/74/14/1041747414.db2.gz MRHOWERICFVIQV-UHFFFAOYSA-N 2 1 388.483 3.611 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+](C3CCCCC3)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC001236567636 1041764680 /nfs/dbraw/zinc/76/46/80/1041764680.db2.gz PMPGHOOEOAFAAE-SAIGFBBZSA-N 3 1 384.612 3.843 20 10 GHCDMP CN1CCN(c2ccc(C[N@H+](C3CCCCC3)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC001236567636 1041764683 /nfs/dbraw/zinc/76/46/83/1041764683.db2.gz PMPGHOOEOAFAAE-SAIGFBBZSA-N 2 1 384.612 3.843 20 10 GHCDMP CN1CCN(c2ccc(C[N@@H+](C3CCCCC3)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC001236567636 1041764691 /nfs/dbraw/zinc/76/46/91/1041764691.db2.gz PMPGHOOEOAFAAE-SAIGFBBZSA-N 2 1 384.612 3.843 20 10 GHCDMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001236743228 1041870113 /nfs/dbraw/zinc/87/01/13/1041870113.db2.gz UDTPBWYGSTXKLI-HCGLCNNCSA-N 2 1 397.538 3.934 20 10 GHCDMP CC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236949125 1041968199 /nfs/dbraw/zinc/96/81/99/1041968199.db2.gz ZXKYGMOVFPXPOR-UHFFFAOYSA-N 2 1 385.527 3.651 20 10 GHCDMP CC(C)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c(O)c1 ZINC001237053409 1042012016 /nfs/dbraw/zinc/01/20/16/1042012016.db2.gz LKEQVIUAYMSUGX-ISKFKSNPSA-N 2 1 395.547 3.634 20 10 GHCDMP CC(C)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(O)c1 ZINC001237053409 1042012023 /nfs/dbraw/zinc/01/20/23/1042012023.db2.gz LKEQVIUAYMSUGX-ISKFKSNPSA-N 2 1 395.547 3.634 20 10 GHCDMP CC(C)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(O)c1 ZINC001237053409 1042012026 /nfs/dbraw/zinc/01/20/26/1042012026.db2.gz LKEQVIUAYMSUGX-ISKFKSNPSA-N 2 1 395.547 3.634 20 10 GHCDMP c1ccc2oc(-c3ccc(N4CC[NH+](C[C@H]5CCC[NH2+]C5)CC4)cc3)nc2c1 ZINC001237257594 1042111058 /nfs/dbraw/zinc/11/10/58/1042111058.db2.gz HSUWXIMBYQDNAJ-SFHVURJKSA-N 2 1 376.504 3.616 20 10 GHCDMP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1c(O)cccc1F)CC2 ZINC001279421532 1047800224 /nfs/dbraw/zinc/80/02/24/1047800224.db2.gz KAWGARZRZIPNRB-UHFFFAOYSA-N 2 1 375.513 3.784 20 10 GHCDMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1c(O)cccc1F)CC2 ZINC001279421532 1047800235 /nfs/dbraw/zinc/80/02/35/1047800235.db2.gz KAWGARZRZIPNRB-UHFFFAOYSA-N 2 1 375.513 3.784 20 10 GHCDMP COc1ccccc1C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001319690922 1055400152 /nfs/dbraw/zinc/40/01/52/1055400152.db2.gz LFSKTQKYCFJWQI-UHFFFAOYSA-N 2 1 383.511 3.751 20 10 GHCDMP COc1ccccc1C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001319690922 1055400156 /nfs/dbraw/zinc/40/01/56/1055400156.db2.gz LFSKTQKYCFJWQI-UHFFFAOYSA-N 2 1 383.511 3.751 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2F)CC1 ZINC001319798838 1055475312 /nfs/dbraw/zinc/47/53/12/1055475312.db2.gz NRRVXADZBRNIEQ-UHFFFAOYSA-N 2 1 398.482 3.650 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2F)CC1 ZINC001319798838 1055475322 /nfs/dbraw/zinc/47/53/22/1055475322.db2.gz NRRVXADZBRNIEQ-UHFFFAOYSA-N 2 1 398.482 3.650 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(OC4CCCC4)CC3)cc2F)CC1 ZINC001319949759 1055558181 /nfs/dbraw/zinc/55/81/81/1055558181.db2.gz DSISYAINUROKSF-UHFFFAOYSA-N 2 1 375.532 3.501 20 10 GHCDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001320479969 1055827574 /nfs/dbraw/zinc/82/75/74/1055827574.db2.gz GPAQMLAFWWRRIX-UHFFFAOYSA-N 2 1 390.591 3.521 20 10 GHCDMP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001320479969 1055827579 /nfs/dbraw/zinc/82/75/79/1055827579.db2.gz GPAQMLAFWWRRIX-UHFFFAOYSA-N 3 1 390.591 3.521 20 10 GHCDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001320479969 1055827588 /nfs/dbraw/zinc/82/75/88/1055827588.db2.gz GPAQMLAFWWRRIX-UHFFFAOYSA-N 3 1 390.591 3.521 20 10 GHCDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]1c1cccs1 ZINC001474019031 1074237512 /nfs/dbraw/zinc/23/75/12/1074237512.db2.gz LDGAMEXPABYPHN-KNQAVFIVSA-N 2 1 385.577 3.757 20 10 GHCDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]1c1cccs1 ZINC001474019031 1074237515 /nfs/dbraw/zinc/23/75/15/1074237515.db2.gz LDGAMEXPABYPHN-KNQAVFIVSA-N 2 1 385.577 3.757 20 10 GHCDMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000765782528 854813113 /nfs/dbraw/zinc/81/31/13/854813113.db2.gz YVFTWGOWAZMVPT-OAQYLSRUSA-N 2 1 386.628 3.991 20 10 GHCDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(Cl)c(C)cc3O)C2)ccn1 ZINC000856548302 881362417 /nfs/dbraw/zinc/36/24/17/881362417.db2.gz FCVCKKPDIALNOV-LJQANCHMSA-N 2 1 389.927 3.854 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)ccn1 ZINC000856548302 881362438 /nfs/dbraw/zinc/36/24/38/881362438.db2.gz FCVCKKPDIALNOV-LJQANCHMSA-N 2 1 389.927 3.854 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)ccn1 ZINC000856548302 881362458 /nfs/dbraw/zinc/36/24/58/881362458.db2.gz FCVCKKPDIALNOV-LJQANCHMSA-N 2 1 389.927 3.854 20 10 GHCDMP CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000764463057 859457878 /nfs/dbraw/zinc/45/78/78/859457878.db2.gz IOJFMODZCSRXDT-RTWAWAEBSA-N 2 1 386.609 3.844 20 10 GHCDMP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183196836 866335485 /nfs/dbraw/zinc/33/54/85/866335485.db2.gz IJGLISJFBDVWTK-NLWGTHIKSA-N 2 1 389.559 3.966 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000775647371 872248891 /nfs/dbraw/zinc/24/88/91/872248891.db2.gz VVPDZWKKTNFTDR-QFIPXVFZSA-N 2 1 393.531 3.547 20 10 GHCDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566387 877033146 /nfs/dbraw/zinc/03/31/46/877033146.db2.gz NAXMBOBLOKCZIK-CPJSRVTESA-N 2 1 393.575 3.648 20 10 GHCDMP COc1cc(C)cc(C[N@@H+](C)Cc2ccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1O ZINC001183490764 912569512 /nfs/dbraw/zinc/56/95/12/912569512.db2.gz KDMAJLYFFSCTLU-KDURUIRLSA-N 2 1 398.547 3.950 20 10 GHCDMP COc1cc(C)cc(C[NH+](C)Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1O ZINC001183490764 912569529 /nfs/dbraw/zinc/56/95/29/912569529.db2.gz KDMAJLYFFSCTLU-KDURUIRLSA-N 2 1 398.547 3.950 20 10 GHCDMP COc1cc(C)cc(C[NH+](C)Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1O ZINC001183490764 912569537 /nfs/dbraw/zinc/56/95/37/912569537.db2.gz KDMAJLYFFSCTLU-KDURUIRLSA-N 2 1 398.547 3.950 20 10 GHCDMP COCC[NH+](CCOC)C1CC[NH+](Cc2cc(C)cc(C(C)(C)C)c2O)CC1 ZINC000795718825 912686088 /nfs/dbraw/zinc/68/60/88/912686088.db2.gz VZDMKTLGOKUONP-UHFFFAOYSA-N 2 1 392.584 3.557 20 10 GHCDMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccc(C(F)(F)F)c1O ZINC000815626517 894057075 /nfs/dbraw/zinc/05/70/75/894057075.db2.gz GATZYVFTMFAGIL-AWEZNQCLSA-N 2 1 397.441 3.987 20 10 GHCDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3c(O)ccc4ccc(OC)cc43)CC2)CC1 ZINC000817372740 895549423 /nfs/dbraw/zinc/54/94/23/895549423.db2.gz LQNAWITZFZIMTL-UHFFFAOYSA-N 2 1 397.563 3.546 20 10 GHCDMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817984492 895993302 /nfs/dbraw/zinc/99/33/02/895993302.db2.gz YVZFBBWEQRJYIK-CKQIISDPSA-N 2 1 384.612 3.934 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774980447 914330035 /nfs/dbraw/zinc/33/00/35/914330035.db2.gz WBNKTHSMWUAEGQ-MRXNPFEDSA-N 2 1 399.491 3.831 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774980447 914330049 /nfs/dbraw/zinc/33/00/49/914330049.db2.gz WBNKTHSMWUAEGQ-MRXNPFEDSA-N 2 1 399.491 3.831 20 10 GHCDMP COc1ccc([C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c2ccco2)cc1 ZINC000825316395 900088692 /nfs/dbraw/zinc/08/86/92/900088692.db2.gz NFTVTSLEUYMSNK-DEOSSOPVSA-N 2 1 391.515 3.919 20 10 GHCDMP Cc1cc(Br)cc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1O ZINC000779024678 903076682 /nfs/dbraw/zinc/07/66/82/903076682.db2.gz OEXVMXMSDBKVFA-YOEHRIQHSA-N 2 1 397.357 3.757 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccccc3)[C@H]3CCCO3)cc2F)CC1 ZINC001177506964 908606693 /nfs/dbraw/zinc/60/66/93/908606693.db2.gz XFVARWZEUPNCKB-PKTZIBPZSA-N 2 1 383.511 3.587 20 10 GHCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000757634147 929751673 /nfs/dbraw/zinc/75/16/73/929751673.db2.gz ZAVRSAXRHLWMOI-ZWOKBUDYSA-N 2 1 382.504 3.740 20 10 GHCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000757634147 929751684 /nfs/dbraw/zinc/75/16/84/929751684.db2.gz ZAVRSAXRHLWMOI-ZWOKBUDYSA-N 2 1 382.504 3.740 20 10 GHCDMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1cc2c(cc1O)CCCC2 ZINC001116584686 933647805 /nfs/dbraw/zinc/64/78/05/933647805.db2.gz JMCUECMVFTVKMY-IBGZPJMESA-N 2 1 393.575 3.869 20 10 GHCDMP COCCC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116885769 933810855 /nfs/dbraw/zinc/81/08/55/933810855.db2.gz CBAPFIOQMGFGFY-JOCHJYFZSA-N 2 1 399.554 3.705 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@](C)(c4ccc(F)cc4)C3)cc2)CC1 ZINC001140306751 1021363914 /nfs/dbraw/zinc/36/39/14/1021363914.db2.gz WMEDNSOBZRBKKY-XMMPIXPASA-N 2 1 397.538 3.715 20 10 GHCDMP Cc1nc(C[NH+]2CCC(C[NH2+]C/C=C/c3ccc(N(C)C)cc3)CC2)oc1C ZINC000835036282 1021794140 /nfs/dbraw/zinc/79/41/40/1021794140.db2.gz JKSGTYQUZXKGMR-AATRIKPKSA-N 2 1 382.552 3.872 20 10 GHCDMP Cc1c(O)ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001140746246 1022417915 /nfs/dbraw/zinc/41/79/15/1022417915.db2.gz XDYSTCPYGDXQMW-DZFGPLHGSA-N 2 1 381.520 3.534 20 10 GHCDMP Cc1c(O)ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001140746246 1022417922 /nfs/dbraw/zinc/41/79/22/1022417922.db2.gz XDYSTCPYGDXQMW-DZFGPLHGSA-N 2 1 381.520 3.534 20 10 GHCDMP Cc1c(O)ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001140746246 1022417928 /nfs/dbraw/zinc/41/79/28/1022417928.db2.gz XDYSTCPYGDXQMW-DZFGPLHGSA-N 2 1 381.520 3.534 20 10 GHCDMP Cc1c(O)ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001140746246 1022417930 /nfs/dbraw/zinc/41/79/30/1022417930.db2.gz XDYSTCPYGDXQMW-DZFGPLHGSA-N 2 1 381.520 3.534 20 10 GHCDMP Cc1c2ccccc2n(C)c1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001461034076 1069349226 /nfs/dbraw/zinc/34/92/26/1069349226.db2.gz DWJTULXNTGRFIW-RUZDIDTESA-N 2 1 390.575 3.955 20 10 GHCDMP COc1cc(C[N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)cc(C[NH+](C)C)c1O ZINC001139258929 1026109888 /nfs/dbraw/zinc/10/98/88/1026109888.db2.gz BDQYUBFXYXBNOR-IBGZPJMESA-N 2 1 390.524 3.968 20 10 GHCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001139404681 1026277347 /nfs/dbraw/zinc/27/73/47/1026277347.db2.gz VVJPNSPMKMVCQA-FQEVSTJZSA-N 2 1 381.564 3.900 20 10 GHCDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C/C=C\c3ccc(N(C)C)cc3)c2)CCO1 ZINC001461097091 1069388089 /nfs/dbraw/zinc/38/80/89/1069388089.db2.gz BCUSDGDQRDWCKN-VORVDVFJSA-N 2 1 379.548 3.776 20 10 GHCDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C/C=C\c3ccc(N(C)C)cc3)c2)CCO1 ZINC001461097091 1069388100 /nfs/dbraw/zinc/38/81/00/1069388100.db2.gz BCUSDGDQRDWCKN-VORVDVFJSA-N 2 1 379.548 3.776 20 10 GHCDMP COc1ccc(N2CC[NH+](CCCNc3[nH+]ccc4cc(C)[nH]c43)CC2)cc1 ZINC001164327029 1026485708 /nfs/dbraw/zinc/48/57/08/1026485708.db2.gz AXBIOGLPYFITPW-UHFFFAOYSA-N 2 1 379.508 3.504 20 10 GHCDMP COc1ccc(O)c(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c1 ZINC001203675155 1027525222 /nfs/dbraw/zinc/52/52/22/1027525222.db2.gz OZRFWTPRMFPLEO-UHFFFAOYSA-N 2 1 383.879 3.925 20 10 GHCDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203934078 1027726848 /nfs/dbraw/zinc/72/68/48/1027726848.db2.gz TZJXCADAILMVLB-TUACAJSNSA-N 2 1 378.564 3.880 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203934078 1027726864 /nfs/dbraw/zinc/72/68/64/1027726864.db2.gz TZJXCADAILMVLB-TUACAJSNSA-N 2 1 378.564 3.880 20 10 GHCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203934078 1027726880 /nfs/dbraw/zinc/72/68/80/1027726880.db2.gz TZJXCADAILMVLB-TUACAJSNSA-N 2 1 378.564 3.880 20 10 GHCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203934078 1027726897 /nfs/dbraw/zinc/72/68/97/1027726897.db2.gz TZJXCADAILMVLB-TUACAJSNSA-N 2 1 378.564 3.880 20 10 GHCDMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000842920442 1029686124 /nfs/dbraw/zinc/68/61/24/1029686124.db2.gz IOKFJUCNCOBBTE-BWAGFHJFSA-N 2 1 397.538 3.658 20 10 GHCDMP COc1ccc(Br)c(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1O ZINC001222168150 1029985939 /nfs/dbraw/zinc/98/59/39/1029985939.db2.gz VUIHFEDSRDLRQP-IBGZPJMESA-N 2 1 397.357 3.909 20 10 GHCDMP COc1ccc(Br)c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1O ZINC001222168150 1029985943 /nfs/dbraw/zinc/98/59/43/1029985943.db2.gz VUIHFEDSRDLRQP-IBGZPJMESA-N 2 1 397.357 3.909 20 10 GHCDMP c1ccc(C(c2ccccc2)[NH+]2CC(Oc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001218194032 1030817630 /nfs/dbraw/zinc/81/76/30/1030817630.db2.gz UIFFTNAHEVOYSP-UHFFFAOYSA-N 2 1 399.538 3.949 20 10 GHCDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC001205582227 1033477812 /nfs/dbraw/zinc/47/78/12/1033477812.db2.gz XIWBKENGZBGUFK-SFHVURJKSA-N 2 1 381.289 3.961 20 10 GHCDMP COc1ccc(Br)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1O ZINC001231553064 1034705587 /nfs/dbraw/zinc/70/55/87/1034705587.db2.gz PDWYZYNFNPMCAH-UHFFFAOYSA-N 2 1 385.346 3.716 20 10 GHCDMP Cc1cc(C)c(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c(O)c1 ZINC001231843903 1034937918 /nfs/dbraw/zinc/93/79/18/1034937918.db2.gz CQJINNANXUCXHU-UHFFFAOYSA-N 2 1 395.547 3.519 20 10 GHCDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3ccccc3c1O)C2 ZINC001231879069 1034963035 /nfs/dbraw/zinc/96/30/35/1034963035.db2.gz UYGVPTNCJVKCEV-URXFXBBRSA-N 2 1 380.532 3.726 20 10 GHCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC001231879069 1034963038 /nfs/dbraw/zinc/96/30/38/1034963038.db2.gz UYGVPTNCJVKCEV-URXFXBBRSA-N 2 1 380.532 3.726 20 10 GHCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC001231879069 1034963041 /nfs/dbraw/zinc/96/30/41/1034963041.db2.gz UYGVPTNCJVKCEV-URXFXBBRSA-N 2 1 380.532 3.726 20 10 GHCDMP CC[C@H]1C[C@@H]([NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)CC[NH2+]1 ZINC001247004347 1037829794 /nfs/dbraw/zinc/82/97/94/1037829794.db2.gz PDDSFVLKXSJJIV-GMAHTHKFSA-N 2 1 379.548 3.918 20 10 GHCDMP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Oc1ccc(Cl)cc1 ZINC001252164732 1038895303 /nfs/dbraw/zinc/89/53/03/1038895303.db2.gz PFDXLONSDXUEHX-INIZCTEOSA-N 2 1 391.918 3.788 20 10 GHCDMP CCOC(=O)c1c(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)c2ccccc2n1C ZINC001233273684 1039041669 /nfs/dbraw/zinc/04/16/69/1039041669.db2.gz NETNOFORBAUGEQ-QGZVFWFLSA-N 2 1 393.487 3.712 20 10 GHCDMP CCOC(=O)c1c(CN2CC[C@@H](Oc3ccncc3C)C2)c2ccccc2n1C ZINC001233273684 1039041690 /nfs/dbraw/zinc/04/16/90/1039041690.db2.gz NETNOFORBAUGEQ-QGZVFWFLSA-N 2 1 393.487 3.712 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC001235383148 1040902756 /nfs/dbraw/zinc/90/27/56/1040902756.db2.gz NSSBIBDFSAOZQW-VGSWGCGISA-N 2 1 386.923 3.807 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC001235383148 1040902759 /nfs/dbraw/zinc/90/27/59/1040902759.db2.gz NSSBIBDFSAOZQW-VGSWGCGISA-N 2 1 386.923 3.807 20 10 GHCDMP COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1O ZINC001235386639 1040905438 /nfs/dbraw/zinc/90/54/38/1040905438.db2.gz WDCUUOJFDGOARJ-XMSQKQJNSA-N 2 1 386.923 3.807 20 10 GHCDMP COc1ccc(C[N@H+](Cc2ccc3c(c2)CCCN3C)C2CC[NH2+]CC2)cc1F ZINC001236518177 1041750472 /nfs/dbraw/zinc/75/04/72/1041750472.db2.gz ZNBUVDPHCSRUSF-UHFFFAOYSA-N 2 1 397.538 3.971 20 10 GHCDMP COc1ccc(C[N@@H+](Cc2ccc3c(c2)CCCN3C)C2CC[NH2+]CC2)cc1F ZINC001236518177 1041750481 /nfs/dbraw/zinc/75/04/81/1041750481.db2.gz ZNBUVDPHCSRUSF-UHFFFAOYSA-N 2 1 397.538 3.971 20 10 GHCDMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(N3CCOCC3)cc2)Cc2ccccc2F)CC1 ZINC001236536473 1041755313 /nfs/dbraw/zinc/75/53/13/1041755313.db2.gz FBPSATAJQPVBNY-AFARHQOCSA-N 2 1 397.538 3.934 20 10 GHCDMP CCOC(=O)c1c(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c2ccccc2n1C ZINC001236551275 1041759488 /nfs/dbraw/zinc/75/94/88/1041759488.db2.gz NKONEPYOOWVAHJ-IYARVYRRSA-N 2 1 383.536 3.837 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC001236755669 1041874573 /nfs/dbraw/zinc/87/45/73/1041874573.db2.gz FVGLMCCGFIXZER-WOJBJXKFSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC001236755669 1041874577 /nfs/dbraw/zinc/87/45/77/1041874577.db2.gz FVGLMCCGFIXZER-WOJBJXKFSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC001236755669 1041874581 /nfs/dbraw/zinc/87/45/81/1041874581.db2.gz FVGLMCCGFIXZER-WOJBJXKFSA-N 2 1 396.531 3.753 20 10 GHCDMP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237064276 1042017607 /nfs/dbraw/zinc/01/76/07/1042017607.db2.gz ZJDAVNRFFKWYND-MRXNPFEDSA-N 2 1 382.382 3.690 20 10 GHCDMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1c(C)cccc1O)CC2 ZINC001237486730 1042229824 /nfs/dbraw/zinc/22/98/24/1042229824.db2.gz TUYXZKSZAXCIPX-OAQYLSRUSA-N 2 1 395.547 3.599 20 10 GHCDMP FC(F)(F)Oc1ccc(N2CCN(Cc3cccc4cncn43)CC2)cc1 ZINC001238116378 1042496270 /nfs/dbraw/zinc/49/62/70/1042496270.db2.gz RMKKNKDPSYUQGM-UHFFFAOYSA-N 2 1 376.382 3.555 20 10 GHCDMP COc1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1Cn1cccn1 ZINC001308204552 1049911857 /nfs/dbraw/zinc/91/18/57/1049911857.db2.gz UYADVBXFYGBZDD-BGYRXZFFSA-N 2 1 384.568 3.788 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCCN(c4ccccc4)C3)cc2F)CC1 ZINC001324876227 1057239927 /nfs/dbraw/zinc/23/99/27/1057239927.db2.gz CNVXYPXQBZLILY-OAQYLSRUSA-N 2 1 396.554 3.584 20 10 GHCDMP CC(C)[NH+](CCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(C)C ZINC001440663746 1058567794 /nfs/dbraw/zinc/56/77/94/1058567794.db2.gz CEJQRCVKXUFNEH-UHFFFAOYSA-N 2 1 398.595 3.643 20 10 GHCDMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C)cc1O ZINC000280014774 846259294 /nfs/dbraw/zinc/25/92/94/846259294.db2.gz GYEKTOQJURWTIO-IFMALSPDSA-N 2 1 395.547 3.639 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc2ccccc2c1O ZINC000850509423 876981416 /nfs/dbraw/zinc/98/14/16/876981416.db2.gz PWZVIYUCXFGEST-UWJYYQICSA-N 2 1 376.500 3.963 20 10 GHCDMP Fc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1N1CCOCC1 ZINC000789768456 879247411 /nfs/dbraw/zinc/24/74/11/879247411.db2.gz HOFOBIJWTHIIIA-UHFFFAOYSA-N 2 1 398.526 3.575 20 10 GHCDMP COc1ccc(N2CCC(N[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)CC2)cc1 ZINC000854223847 879641504 /nfs/dbraw/zinc/64/15/04/879641504.db2.gz IFETXMQNXPCFAR-DHIUTWEWSA-N 2 1 383.511 3.538 20 10 GHCDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000124005276 891220860 /nfs/dbraw/zinc/22/08/60/891220860.db2.gz XGNLJXHMGWYSKT-SFHVURJKSA-N 2 1 385.527 3.965 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1F ZINC000816659839 895005803 /nfs/dbraw/zinc/00/58/03/895005803.db2.gz DFHQGJGDAODTFN-YOFSQIOKSA-N 2 1 377.548 3.746 20 10 GHCDMP CCN(CC)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1F ZINC000816659839 895005820 /nfs/dbraw/zinc/00/58/20/895005820.db2.gz DFHQGJGDAODTFN-YOFSQIOKSA-N 2 1 377.548 3.746 20 10 GHCDMP CCN(CC)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1F ZINC000816659839 895005836 /nfs/dbraw/zinc/00/58/36/895005836.db2.gz DFHQGJGDAODTFN-YOFSQIOKSA-N 2 1 377.548 3.746 20 10 GHCDMP CCN(CC)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1F ZINC000816659839 895005853 /nfs/dbraw/zinc/00/58/53/895005853.db2.gz DFHQGJGDAODTFN-YOFSQIOKSA-N 2 1 377.548 3.746 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(N2CCOCC2)cc1Cl ZINC000844924671 901537362 /nfs/dbraw/zinc/53/73/62/901537362.db2.gz PIOMQGMVPALMGM-CQSZACIVSA-N 2 1 377.891 3.625 20 10 GHCDMP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248397887 912053870 /nfs/dbraw/zinc/05/38/70/912053870.db2.gz IJGLISJFBDVWTK-NSHGMRRFSA-N 2 1 389.559 3.966 20 10 GHCDMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(N(C)C)cc1 ZINC000248437885 912099914 /nfs/dbraw/zinc/09/99/14/912099914.db2.gz HJSUUNHPNCMOJI-BJKOFHAPSA-N 2 1 381.564 3.950 20 10 GHCDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000749287498 927035183 /nfs/dbraw/zinc/03/51/83/927035183.db2.gz OHRXMODTVYVHAY-YKSBVNFPSA-N 2 1 379.548 3.523 20 10 GHCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c2c1c(F)ccc2O ZINC000757640335 929754925 /nfs/dbraw/zinc/75/49/25/929754925.db2.gz RZUVCZJZOCVIEC-MOXGXCLJSA-N 2 1 384.495 3.826 20 10 GHCDMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2)CC1 ZINC000798956637 932838346 /nfs/dbraw/zinc/83/83/46/932838346.db2.gz HQLRPEHUOAILRL-UHFFFAOYSA-N 2 1 386.540 3.893 20 10 GHCDMP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1c(O)cccc1F)CC2 ZINC001137834662 935813566 /nfs/dbraw/zinc/81/35/66/935813566.db2.gz OOZCVYCZZCDBJM-MRXNPFEDSA-N 2 1 390.524 3.848 20 10 GHCDMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1c(O)cccc1F)CC2 ZINC001137834662 935813568 /nfs/dbraw/zinc/81/35/68/935813568.db2.gz OOZCVYCZZCDBJM-MRXNPFEDSA-N 2 1 390.524 3.848 20 10 GHCDMP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1O ZINC000756432355 1023647121 /nfs/dbraw/zinc/64/71/21/1023647121.db2.gz QRMLQAPVFCPRDK-LJQANCHMSA-N 2 1 385.527 3.780 20 10 GHCDMP COc1cc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc(C[NH+](C)C)c1O ZINC001139253460 1026104083 /nfs/dbraw/zinc/10/40/83/1026104083.db2.gz VKWQXOKVUUEPAS-UHFFFAOYSA-N 2 1 382.504 3.557 20 10 GHCDMP COc1cc(C[N@@H+]2CCO[C@@](C)(c3ccc(C)cc3)C2)cc(C[NH+](C)C)c1O ZINC001139257864 1026107925 /nfs/dbraw/zinc/10/79/25/1026107925.db2.gz JBBSFYMAIXVYOH-HSZRJFAPSA-N 2 1 384.520 3.518 20 10 GHCDMP COc1cc(C[N@H+]2CCO[C@@](C)(c3ccc(C)cc3)C2)cc(C[NH+](C)C)c1O ZINC001139257864 1026107930 /nfs/dbraw/zinc/10/79/30/1026107930.db2.gz JBBSFYMAIXVYOH-HSZRJFAPSA-N 2 1 384.520 3.518 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCSC[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC001139412354 1026285663 /nfs/dbraw/zinc/28/56/63/1026285663.db2.gz ICBZZSGIPWDLET-QFIPXVFZSA-N 2 1 385.552 3.868 20 10 GHCDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C/C=C/c3ccc(N(C)C)cc3)c2)CCO1 ZINC001461097086 1069387740 /nfs/dbraw/zinc/38/77/40/1069387740.db2.gz BCUSDGDQRDWCKN-FKIZTMCRSA-N 2 1 379.548 3.776 20 10 GHCDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C/C=C/c3ccc(N(C)C)cc3)c2)CCO1 ZINC001461097086 1069387744 /nfs/dbraw/zinc/38/77/44/1069387744.db2.gz BCUSDGDQRDWCKN-FKIZTMCRSA-N 2 1 379.548 3.776 20 10 GHCDMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001203628584 1027488756 /nfs/dbraw/zinc/48/87/56/1027488756.db2.gz BYJWVCYAEIGWIA-MTNREXPMSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001203628584 1027488766 /nfs/dbraw/zinc/48/87/66/1027488766.db2.gz BYJWVCYAEIGWIA-MTNREXPMSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001203628584 1027488769 /nfs/dbraw/zinc/48/87/69/1027488769.db2.gz BYJWVCYAEIGWIA-MTNREXPMSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001203628584 1027488781 /nfs/dbraw/zinc/48/87/81/1027488781.db2.gz BYJWVCYAEIGWIA-MTNREXPMSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1cc(Br)cc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1O ZINC001222161429 1029982540 /nfs/dbraw/zinc/98/25/40/1029982540.db2.gz ODXAAWSWIMQRBN-LJQANCHMSA-N 2 1 397.357 3.909 20 10 GHCDMP COc1cc(Br)cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1O ZINC001222161429 1029982546 /nfs/dbraw/zinc/98/25/46/1029982546.db2.gz ODXAAWSWIMQRBN-LJQANCHMSA-N 2 1 397.357 3.909 20 10 GHCDMP Clc1cc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC001222168204 1029985667 /nfs/dbraw/zinc/98/56/67/1029985667.db2.gz XKUKDXPGTRIOSZ-JOCHJYFZSA-N 2 1 391.987 3.922 20 10 GHCDMP Clc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC001222168204 1029985675 /nfs/dbraw/zinc/98/56/75/1029985675.db2.gz XKUKDXPGTRIOSZ-JOCHJYFZSA-N 2 1 391.987 3.922 20 10 GHCDMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1ccc(-n3c(C)ccc3C)cc1)CC[NH2+]CC2 ZINC001222221635 1030016741 /nfs/dbraw/zinc/01/67/41/1030016741.db2.gz OXFKVGGAZLOSEC-JOCHJYFZSA-N 2 1 395.547 3.601 20 10 GHCDMP Cc1cc(Br)c(O)c(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC001206760753 1033973905 /nfs/dbraw/zinc/97/39/05/1033973905.db2.gz LGFHNQYWQLOSJU-UHFFFAOYSA-N 2 1 389.337 3.956 20 10 GHCDMP COc1cc(N(C)C)ccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001231853517 1034943674 /nfs/dbraw/zinc/94/36/74/1034943674.db2.gz XOVTVUIIFRNIMC-UHFFFAOYSA-N 2 1 394.563 3.644 20 10 GHCDMP Oc1c(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cccc1OC(F)(F)F ZINC001235376304 1040887554 /nfs/dbraw/zinc/88/75/54/1040887554.db2.gz DGYOJBXYSJANQY-XLIONFOSSA-N 2 1 392.421 3.870 20 10 GHCDMP Oc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377958 1040892890 /nfs/dbraw/zinc/89/28/90/1040892890.db2.gz XLAZWKRYEUWNAY-QUCCMNQESA-N 2 1 376.422 3.990 20 10 GHCDMP COc1ccc(N2CC[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255398348 1040984288 /nfs/dbraw/zinc/98/42/88/1040984288.db2.gz JSJMKTBYTSQVBC-JOCHJYFZSA-N 2 1 379.548 3.872 20 10 GHCDMP COc1ccc(N2CC[NH+]([C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255398348 1040984290 /nfs/dbraw/zinc/98/42/90/1040984290.db2.gz JSJMKTBYTSQVBC-JOCHJYFZSA-N 2 1 379.548 3.872 20 10 GHCDMP Clc1ccc(CO[C@H]2CCC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001235708921 1041191209 /nfs/dbraw/zinc/19/12/09/1041191209.db2.gz BYFUPWPXCWMMPG-QHCPKHFHSA-N 2 1 399.966 3.931 20 10 GHCDMP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc(OC)c(Cl)c1O ZINC001236807455 1041908019 /nfs/dbraw/zinc/90/80/19/1041908019.db2.gz PIJWTRRUIJEROO-UHFFFAOYSA-N 2 1 385.980 3.540 20 10 GHCDMP Cc1ccccc1O[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236941200 1041966189 /nfs/dbraw/zinc/96/61/89/1041966189.db2.gz YCHKUATUOGDAPA-OAQYLSRUSA-N 2 1 383.511 3.539 20 10 GHCDMP COc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(O)c(OC)c1 ZINC001237677437 1042318765 /nfs/dbraw/zinc/31/87/65/1042318765.db2.gz NGYKUHMXXYGZAY-PMACEKPBSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c(O)c(OC)c1 ZINC001237677437 1042318772 /nfs/dbraw/zinc/31/87/72/1042318772.db2.gz NGYKUHMXXYGZAY-PMACEKPBSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c(O)c(OC)c1 ZINC001237677437 1042318783 /nfs/dbraw/zinc/31/87/83/1042318783.db2.gz NGYKUHMXXYGZAY-PMACEKPBSA-N 2 1 396.531 3.753 20 10 GHCDMP [NH3+][C@H](c1ccccc1O)[C@H](N[C@H]1CCC[N@H+](C2CCCC2)C1)c1ccccc1O ZINC001256910127 1043737225 /nfs/dbraw/zinc/73/72/25/1043737225.db2.gz XJCSPFRXNWUJCX-PKKBDPGCSA-N 2 1 395.547 3.836 20 10 GHCDMP [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279663785 1047904124 /nfs/dbraw/zinc/90/41/24/1047904124.db2.gz FJKZDEOIXRHRJD-GASCZTMLSA-N 2 1 395.334 3.766 20 10 GHCDMP Oc1cc(Cl)c(Cl)cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279663785 1047904133 /nfs/dbraw/zinc/90/41/33/1047904133.db2.gz FJKZDEOIXRHRJD-GASCZTMLSA-N 2 1 395.334 3.766 20 10 GHCDMP Oc1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279663785 1047904139 /nfs/dbraw/zinc/90/41/39/1047904139.db2.gz FJKZDEOIXRHRJD-GASCZTMLSA-N 2 1 395.334 3.766 20 10 GHCDMP Oc1cc(Cl)c(Cl)cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279663785 1047904140 /nfs/dbraw/zinc/90/41/40/1047904140.db2.gz FJKZDEOIXRHRJD-GASCZTMLSA-N 2 1 395.334 3.766 20 10 GHCDMP Oc1cc(Cl)c(Cl)cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279663785 1047904144 /nfs/dbraw/zinc/90/41/44/1047904144.db2.gz FJKZDEOIXRHRJD-GASCZTMLSA-N 2 1 395.334 3.766 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C(C)(F)F)cc3)cc2F)CC1 ZINC001330333978 1050999749 /nfs/dbraw/zinc/99/97/49/1050999749.db2.gz JTOGLCAMVSGJRR-UHFFFAOYSA-N 2 1 377.454 3.979 20 10 GHCDMP Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)s1 ZINC001319822323 1055490047 /nfs/dbraw/zinc/49/00/47/1055490047.db2.gz BJPGJFDFUYZTBL-OAHLLOKOSA-N 2 1 376.545 3.844 20 10 GHCDMP Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)s1 ZINC001319822323 1055490050 /nfs/dbraw/zinc/49/00/50/1055490050.db2.gz BJPGJFDFUYZTBL-OAHLLOKOSA-N 2 1 376.545 3.844 20 10 GHCDMP CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001320510857 1055852178 /nfs/dbraw/zinc/85/21/78/1055852178.db2.gz ZUMMEEZMAZNCHY-STZQEDGTSA-N 2 1 389.559 3.603 20 10 GHCDMP CCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001320510857 1055852197 /nfs/dbraw/zinc/85/21/97/1055852197.db2.gz ZUMMEEZMAZNCHY-STZQEDGTSA-N 2 1 389.559 3.603 20 10 GHCDMP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)N(C)C ZINC001320617685 1055904405 /nfs/dbraw/zinc/90/44/05/1055904405.db2.gz GTXGOOUYLBKGBP-NTKDMRAZSA-N 2 1 398.570 3.667 20 10 GHCDMP COc1ccccc1CC(C)(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321652788 1056352460 /nfs/dbraw/zinc/35/24/60/1056352460.db2.gz DPCHCAMFKBABQL-UHFFFAOYSA-N 2 1 385.527 3.697 20 10 GHCDMP CCN(CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccccc1 ZINC001322600498 1056765417 /nfs/dbraw/zinc/76/54/17/1056765417.db2.gz LUMBVHNYADSRJW-UHFFFAOYSA-N 2 1 384.543 3.584 20 10 GHCDMP COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1O ZINC000848525690 1057149514 /nfs/dbraw/zinc/14/95/14/1057149514.db2.gz SJBARTDVCNHICR-NEPJUHHUSA-N 2 1 382.302 3.655 20 10 GHCDMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000195137314 840412659 /nfs/dbraw/zinc/41/26/59/840412659.db2.gz OPZCTEJQGKNTGX-PZJWPPBQSA-N 2 1 397.538 3.835 20 10 GHCDMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C)cc1O ZINC000280014782 846259460 /nfs/dbraw/zinc/25/94/60/846259460.db2.gz GYEKTOQJURWTIO-RBBKRZOGSA-N 2 1 395.547 3.639 20 10 GHCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856560415 881440975 /nfs/dbraw/zinc/44/09/75/881440975.db2.gz LQJNRZBSNXPGGY-QFIPXVFZSA-N 2 1 399.535 3.679 20 10 GHCDMP CCOc1ccc(O)c(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856560415 881440983 /nfs/dbraw/zinc/44/09/83/881440983.db2.gz LQJNRZBSNXPGGY-QFIPXVFZSA-N 2 1 399.535 3.679 20 10 GHCDMP CCOc1ccc(O)c(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000856560415 881440996 /nfs/dbraw/zinc/44/09/96/881440996.db2.gz LQJNRZBSNXPGGY-QFIPXVFZSA-N 2 1 399.535 3.679 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1ccccc1N1CCCC1 ZINC000775645992 872266183 /nfs/dbraw/zinc/26/61/83/872266183.db2.gz DIVMPESPHQVWJH-UHFFFAOYSA-N 2 1 378.564 3.671 20 10 GHCDMP Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)CO1 ZINC000775713632 873056361 /nfs/dbraw/zinc/05/63/61/873056361.db2.gz KRTYQFYCVYGKPA-RDPSFJRHSA-N 2 1 379.548 3.709 20 10 GHCDMP Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)CO1 ZINC000775713630 873057611 /nfs/dbraw/zinc/05/76/11/873057611.db2.gz KRTYQFYCVYGKPA-HYBUGGRVSA-N 2 1 379.548 3.709 20 10 GHCDMP Cc1cc(O)c(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c(Cl)c1 ZINC001199190023 874844921 /nfs/dbraw/zinc/84/49/21/874844921.db2.gz RAZCFLCGTGYZAK-NRFANRHFSA-N 2 1 387.955 3.822 20 10 GHCDMP C[NH+]1CCN(c2ccc(CNc3ccc(CC[NH+]4CCCC4)cc3)cc2F)CC1 ZINC001201298246 875617343 /nfs/dbraw/zinc/61/73/43/875617343.db2.gz JZEPHIJHMBFNKH-UHFFFAOYSA-N 2 1 396.554 3.828 20 10 GHCDMP COc1cc(O)c(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000776251989 876031030 /nfs/dbraw/zinc/03/10/30/876031030.db2.gz HVRIGPABYBQRNA-HKUYNNGSSA-N 2 1 384.520 3.800 20 10 GHCDMP COc1cc(O)c(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC000179918051 878213722 /nfs/dbraw/zinc/21/37/22/878213722.db2.gz YCFGVGBUDOAXPX-UHFFFAOYSA-N 2 1 385.508 3.543 20 10 GHCDMP Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1O ZINC000762652162 886621361 /nfs/dbraw/zinc/62/13/61/886621361.db2.gz WDYRTGYHOZSPPI-HUUCEWRRSA-N 2 1 385.346 3.615 20 10 GHCDMP Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1O ZINC000762652162 886621369 /nfs/dbraw/zinc/62/13/69/886621369.db2.gz WDYRTGYHOZSPPI-HUUCEWRRSA-N 2 1 385.346 3.615 20 10 GHCDMP C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000876693590 893291979 /nfs/dbraw/zinc/29/19/79/893291979.db2.gz ZOOYLJZGQKWXBZ-UHFFFAOYSA-N 2 1 393.575 3.744 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000876693590 893291997 /nfs/dbraw/zinc/29/19/97/893291997.db2.gz ZOOYLJZGQKWXBZ-UHFFFAOYSA-N 2 1 393.575 3.744 20 10 GHCDMP COc1cc2c(cc1Cl)C[N@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC000816664733 895011214 /nfs/dbraw/zinc/01/12/14/895011214.db2.gz CNOIUZVMJZTNNC-UHFFFAOYSA-N 2 1 385.939 3.659 20 10 GHCDMP COc1cc2c(cc1Cl)C[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC000816664733 895011226 /nfs/dbraw/zinc/01/12/26/895011226.db2.gz CNOIUZVMJZTNNC-UHFFFAOYSA-N 2 1 385.939 3.659 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778643771 897841383 /nfs/dbraw/zinc/84/13/83/897841383.db2.gz WIOJERSTNKTZSH-DENIHFKCSA-N 2 1 397.538 3.663 20 10 GHCDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc2c(cc1O)CCCC2 ZINC000186520249 907937228 /nfs/dbraw/zinc/93/72/28/907937228.db2.gz QIRNFAMHNOERCU-JTSKRJEESA-N 2 1 380.532 3.688 20 10 GHCDMP CCCC(=O)Nc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001177290292 908497918 /nfs/dbraw/zinc/49/79/18/908497918.db2.gz QCRKCDRECUOEGF-UHFFFAOYSA-N 2 1 398.526 3.606 20 10 GHCDMP CCN(CC)c1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001177328460 908527926 /nfs/dbraw/zinc/52/79/26/908527926.db2.gz NXBGNXGJJIWJBP-UHFFFAOYSA-N 2 1 384.543 3.714 20 10 GHCDMP CCC1(CC)[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H](C)[C@@H]1OC ZINC001178356329 909029598 /nfs/dbraw/zinc/02/95/98/909029598.db2.gz OGDORNUELRQZEW-HBGVWJBISA-N 2 1 377.548 3.507 20 10 GHCDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@@H]2CCC[C@@H]21 ZINC000796774126 932062195 /nfs/dbraw/zinc/06/21/95/932062195.db2.gz DCTJVPGTICPYDS-TTYHFUOFSA-N 2 1 379.495 3.719 20 10 GHCDMP COc1cc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cc(O)c1O ZINC001204346231 1032784703 /nfs/dbraw/zinc/78/47/03/1032784703.db2.gz HIMPKHRGPFSFHG-FQEVSTJZSA-N 2 1 386.492 3.576 20 10 GHCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1F)C1CCN(Cc2ccccc2)CC1 ZINC001140660131 1022194744 /nfs/dbraw/zinc/19/47/44/1022194744.db2.gz GZXWCAZWWQEHEE-UHFFFAOYSA-N 2 1 397.538 3.759 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1F)C1CCN(Cc2ccccc2)CC1 ZINC001140660131 1022194754 /nfs/dbraw/zinc/19/47/54/1022194754.db2.gz GZXWCAZWWQEHEE-UHFFFAOYSA-N 2 1 397.538 3.759 20 10 GHCDMP CCN(CC)c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c(O)c1 ZINC001140853410 1022703222 /nfs/dbraw/zinc/70/32/22/1022703222.db2.gz WWOQJOUFPNTXKP-RTBURBONSA-N 2 1 385.577 3.864 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(OC)c1 ZINC001141032994 1023301087 /nfs/dbraw/zinc/30/10/87/1023301087.db2.gz WKYYOIXPWQUEIT-PMACEKPBSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c(OC)c1 ZINC001141032994 1023301100 /nfs/dbraw/zinc/30/11/00/1023301100.db2.gz WKYYOIXPWQUEIT-PMACEKPBSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c(OC)c1 ZINC001141032994 1023301114 /nfs/dbraw/zinc/30/11/14/1023301114.db2.gz WKYYOIXPWQUEIT-PMACEKPBSA-N 2 1 396.531 3.753 20 10 GHCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC001139404682 1026277645 /nfs/dbraw/zinc/27/76/45/1026277645.db2.gz VVJPNSPMKMVCQA-HXUWFJFHSA-N 2 1 381.564 3.900 20 10 GHCDMP CN(C)c1ccc([C@H]([NH3+])CNC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000841045256 1028067899 /nfs/dbraw/zinc/06/78/99/1028067899.db2.gz JLPRNJOQKWAJKF-JOCHJYFZSA-N 2 1 386.971 3.660 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1OC ZINC000843106539 1029812130 /nfs/dbraw/zinc/81/21/30/1029812130.db2.gz BIVWJRAGEGSGLD-UYAOXDASSA-N 2 1 384.520 3.582 20 10 GHCDMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001206369740 1033818805 /nfs/dbraw/zinc/81/88/05/1033818805.db2.gz HPTKUWWWBOQOKA-GOSISDBHSA-N 2 1 381.289 3.961 20 10 GHCDMP COC(=O)c1c(C[N@@H+](C)CCCC[NH+]2CCCCC2)c2cc(F)ccc2n1C ZINC001207302529 1034252640 /nfs/dbraw/zinc/25/26/40/1034252640.db2.gz QNDKUMTUAHAAOL-UHFFFAOYSA-N 2 1 389.515 3.802 20 10 GHCDMP COc1ccc2ccc(O)c(C[N@@H+]3C[C@H]4CN(Cc5ccccn5)C[C@H]4C3)c2c1 ZINC001234535637 1040108385 /nfs/dbraw/zinc/10/83/85/1040108385.db2.gz CRJRCCLAFAQFTP-KDURUIRLSA-N 2 1 389.499 3.513 20 10 GHCDMP c1ccc([C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccc(N4CC[NH2+]CC4)cc2)C3)cc1 ZINC001235532819 1040978736 /nfs/dbraw/zinc/97/87/36/1040978736.db2.gz OVTQSQGWWKIURR-UKILVPOCSA-N 2 1 391.559 3.635 20 10 GHCDMP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)Cc1c(Cl)cccc1Cl ZINC001235791830 1041285561 /nfs/dbraw/zinc/28/55/61/1041285561.db2.gz USPHMMRCYJIZCI-UHFFFAOYSA-N 2 1 380.319 3.741 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)Cc1c(Cl)cccc1Cl ZINC001235791830 1041285572 /nfs/dbraw/zinc/28/55/72/1041285572.db2.gz USPHMMRCYJIZCI-UHFFFAOYSA-N 2 1 380.319 3.741 20 10 GHCDMP Oc1c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc2c3c1CCCN3CCC2 ZINC001236373385 1041686136 /nfs/dbraw/zinc/68/61/36/1041686136.db2.gz HDQPRPATFXYBBC-GOSISDBHSA-N 2 1 383.580 3.835 20 10 GHCDMP COc1ccc(C[N@@H+](Cc2ccc3c(c2)CCCN3C)C2CC[NH2+]CC2)cc1 ZINC001236441337 1041712599 /nfs/dbraw/zinc/71/25/99/1041712599.db2.gz DKEYPPQWFPMSBP-UHFFFAOYSA-N 2 1 379.548 3.832 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC001236757928 1041875533 /nfs/dbraw/zinc/87/55/33/1041875533.db2.gz QWCQDKFNRHKGHH-XMMPIXPASA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC001236757928 1041875540 /nfs/dbraw/zinc/87/55/40/1041875540.db2.gz QWCQDKFNRHKGHH-XMMPIXPASA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(O)c(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001236757928 1041875549 /nfs/dbraw/zinc/87/55/49/1041875549.db2.gz QWCQDKFNRHKGHH-XMMPIXPASA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(O)c(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001236757928 1041875553 /nfs/dbraw/zinc/87/55/53/1041875553.db2.gz QWCQDKFNRHKGHH-XMMPIXPASA-N 2 1 396.531 3.898 20 10 GHCDMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C(C)C)cc3O)CC2)C1 ZINC001237051968 1042010480 /nfs/dbraw/zinc/01/04/80/1042010480.db2.gz PXBWCEDWVLZLQH-FQEVSTJZSA-N 2 1 388.552 3.755 20 10 GHCDMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C(C)C)cc3O)CC2)C1 ZINC001237051968 1042010488 /nfs/dbraw/zinc/01/04/88/1042010488.db2.gz PXBWCEDWVLZLQH-FQEVSTJZSA-N 2 1 388.552 3.755 20 10 GHCDMP COc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(O)c(OC)c1 ZINC001237677443 1042318624 /nfs/dbraw/zinc/31/86/24/1042318624.db2.gz NGYKUHMXXYGZAY-UXHICEINSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c(O)c(OC)c1 ZINC001237677443 1042318627 /nfs/dbraw/zinc/31/86/27/1042318627.db2.gz NGYKUHMXXYGZAY-UXHICEINSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c(O)c(OC)c1 ZINC001237677443 1042318631 /nfs/dbraw/zinc/31/86/31/1042318631.db2.gz NGYKUHMXXYGZAY-UXHICEINSA-N 2 1 396.531 3.753 20 10 GHCDMP Cc1cccc(N2CCC[N@@H+](Cc3cc(Br)c(C)cc3O)CC2)n1 ZINC001237682295 1042323060 /nfs/dbraw/zinc/32/30/60/1042323060.db2.gz QLUDQRHRKWAVTB-UHFFFAOYSA-N 2 1 390.325 3.879 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(OC4CCCC4)nc3)cc2F)CC1 ZINC001308208902 1049913737 /nfs/dbraw/zinc/91/37/37/1049913737.db2.gz HOUPGZYZZJKPIE-UHFFFAOYSA-N 2 1 398.526 3.584 20 10 GHCDMP Cc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c(OCC2CC2)c1 ZINC001308307625 1049944904 /nfs/dbraw/zinc/94/49/04/1049944904.db2.gz FPNLHNUPMYEJLV-UHFFFAOYSA-N 2 1 397.538 3.965 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3c(F)cccc3Br)cc2)CC1 ZINC001308504103 1049992283 /nfs/dbraw/zinc/99/22/83/1049992283.db2.gz ZOORYXMXBWZQKA-UHFFFAOYSA-N 2 1 392.316 3.630 20 10 GHCDMP COc1ccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(O)c1OC ZINC001308759014 1050084660 /nfs/dbraw/zinc/08/46/60/1050084660.db2.gz ABFYONVWIPIDHJ-HSZRJFAPSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)c1OC ZINC001308759014 1050084664 /nfs/dbraw/zinc/08/46/64/1050084664.db2.gz ABFYONVWIPIDHJ-HSZRJFAPSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)c1OC ZINC001308759014 1050084668 /nfs/dbraw/zinc/08/46/68/1050084668.db2.gz ABFYONVWIPIDHJ-HSZRJFAPSA-N 2 1 382.504 3.507 20 10 GHCDMP CCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H](O)c1ccccc1 ZINC001344379822 1054403844 /nfs/dbraw/zinc/40/38/44/1054403844.db2.gz DHJPGCREWITSNG-JTHBVZDNSA-N 2 1 385.527 3.569 20 10 GHCDMP Cc1ccc(OCCCC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001318339050 1054575236 /nfs/dbraw/zinc/57/52/36/1054575236.db2.gz ICZPUUAJTSNRSU-UHFFFAOYSA-N 2 1 385.527 3.835 20 10 GHCDMP CC(C)CCOC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001319816265 1055487630 /nfs/dbraw/zinc/48/76/30/1055487630.db2.gz VDCUDMIATCNGKX-UHFFFAOYSA-N 2 1 377.548 3.605 20 10 GHCDMP Cc1ccc(C2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)CC2)cn1 ZINC001325201430 1057288144 /nfs/dbraw/zinc/28/81/44/1057288144.db2.gz QWQJDBNMICQLGS-UHFFFAOYSA-N 2 1 382.527 3.661 20 10 GHCDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(O)c1OC ZINC000893020268 839952001 /nfs/dbraw/zinc/95/20/01/839952001.db2.gz PFHDCIQPGFMAPN-KBXCAEBGSA-N 2 1 376.522 3.644 20 10 GHCDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(O)c1OC ZINC000893020268 839952017 /nfs/dbraw/zinc/95/20/17/839952017.db2.gz PFHDCIQPGFMAPN-KBXCAEBGSA-N 2 1 376.522 3.644 20 10 GHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000444258468 863775198 /nfs/dbraw/zinc/77/51/98/863775198.db2.gz HTIKXAXSWYZLCL-GOSISDBHSA-N 2 1 398.595 3.500 20 10 GHCDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c(O)ccc4cc(Br)ccc43)C2)C1 ZINC000793765549 882392078 /nfs/dbraw/zinc/39/20/78/882392078.db2.gz JRPIBAHSSHYZCX-LJQANCHMSA-N 2 1 375.310 3.836 20 10 GHCDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c(O)ccc4cc(Br)ccc43)C2)C1 ZINC000793765549 882392096 /nfs/dbraw/zinc/39/20/96/882392096.db2.gz JRPIBAHSSHYZCX-LJQANCHMSA-N 2 1 375.310 3.836 20 10 GHCDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c(O)ccc4cc(Br)ccc43)C2)C1 ZINC000793765549 882392116 /nfs/dbraw/zinc/39/21/16/882392116.db2.gz JRPIBAHSSHYZCX-LJQANCHMSA-N 2 1 375.310 3.836 20 10 GHCDMP c1nc2c(s1)CCC[C@@H]2[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000858384725 883061857 /nfs/dbraw/zinc/06/18/57/883061857.db2.gz ULKAMIKCLUGEDJ-FQEVSTJZSA-N 2 1 382.577 3.842 20 10 GHCDMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1C(F)(F)F ZINC000873229121 891534231 /nfs/dbraw/zinc/53/42/31/891534231.db2.gz XSGKYNBBBOFONL-SJLPKXTDSA-N 2 1 380.410 3.540 20 10 GHCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1C(F)(F)F ZINC000873229121 891534237 /nfs/dbraw/zinc/53/42/37/891534237.db2.gz XSGKYNBBBOFONL-SJLPKXTDSA-N 2 1 380.410 3.540 20 10 GHCDMP CCCN(Cc1ccccc1O)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000876632971 893266758 /nfs/dbraw/zinc/26/67/58/893266758.db2.gz PADIBGMLSGQDAC-UHFFFAOYSA-N 2 1 395.547 3.514 20 10 GHCDMP OC1CCN(c2ccc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)cc2)CC1 ZINC000876989154 893421371 /nfs/dbraw/zinc/42/13/71/893421371.db2.gz QBTVRRPASHMQEM-HXUWFJFHSA-N 2 1 399.604 3.711 20 10 GHCDMP OC1CCN(c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)cc2)CC1 ZINC000876989154 893421381 /nfs/dbraw/zinc/42/13/81/893421381.db2.gz QBTVRRPASHMQEM-HXUWFJFHSA-N 2 1 399.604 3.711 20 10 GHCDMP CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000126663030 893769457 /nfs/dbraw/zinc/76/94/57/893769457.db2.gz SDFRDNUIGHQYIZ-FQEVSTJZSA-N 2 1 380.580 3.741 20 10 GHCDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000134161757 899704600 /nfs/dbraw/zinc/70/46/00/899704600.db2.gz BHZDPROHVIYUJV-UHFFFAOYSA-N 2 1 377.548 3.606 20 10 GHCDMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000157860045 900861549 /nfs/dbraw/zinc/86/15/49/900861549.db2.gz DFVFBRUIHSDSET-MOPGFXCFSA-N 2 1 377.548 3.968 20 10 GHCDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3O)CC1)CC2 ZINC001172903525 905927285 /nfs/dbraw/zinc/92/72/85/905927285.db2.gz HRQCXWMXHDALEM-FQEVSTJZSA-N 2 1 395.503 3.802 20 10 GHCDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000751146480 928049375 /nfs/dbraw/zinc/04/93/75/928049375.db2.gz HMKMMVSXFRPWFY-NZQKXSOJSA-N 2 1 379.548 3.666 20 10 GHCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000751150987 928051135 /nfs/dbraw/zinc/05/11/35/928051135.db2.gz DNGLGYBKBBBZME-KNQAVFIVSA-N 2 1 397.538 3.805 20 10 GHCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000757634143 929751775 /nfs/dbraw/zinc/75/17/75/929751775.db2.gz ZAVRSAXRHLWMOI-FUHIMQAGSA-N 2 1 382.504 3.740 20 10 GHCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000757634143 929751778 /nfs/dbraw/zinc/75/17/78/929751778.db2.gz ZAVRSAXRHLWMOI-FUHIMQAGSA-N 2 1 382.504 3.740 20 10 GHCDMP COc1ccc(C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C2CC2)cc1 ZINC001116437824 933557800 /nfs/dbraw/zinc/55/78/00/933557800.db2.gz ULLJJOCZUQQYQU-UHFFFAOYSA-N 2 1 383.511 3.751 20 10 GHCDMP COc1ccc(C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C2CC2)cc1 ZINC001116437824 933557807 /nfs/dbraw/zinc/55/78/07/933557807.db2.gz ULLJJOCZUQQYQU-UHFFFAOYSA-N 2 1 383.511 3.751 20 10 GHCDMP C[C@@H](OCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccccc1 ZINC001461017173 1069338536 /nfs/dbraw/zinc/33/85/36/1069338536.db2.gz OYZHAZYIEOQJOP-LJQANCHMSA-N 2 1 385.527 3.835 20 10 GHCDMP Cc1ccc(C)c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1O ZINC001140181190 1026954357 /nfs/dbraw/zinc/95/43/57/1026954357.db2.gz PKHYORKWUSCADS-LJQANCHMSA-N 2 1 384.520 3.858 20 10 GHCDMP COc1cccc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c1O ZINC001203595520 1027461581 /nfs/dbraw/zinc/46/15/81/1027461581.db2.gz GZCITDCOMGYJON-UHFFFAOYSA-N 2 1 383.879 3.925 20 10 GHCDMP CN(C)c1ccc([C@@H]([NH3+])CNC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000841045257 1028066406 /nfs/dbraw/zinc/06/64/06/1028066406.db2.gz JLPRNJOQKWAJKF-QFIPXVFZSA-N 2 1 386.971 3.660 20 10 GHCDMP COC(=O)c1c(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c2ccccc2n1C ZINC001232403753 1038187591 /nfs/dbraw/zinc/18/75/91/1038187591.db2.gz CHAWVDNSLJXIIQ-GOSISDBHSA-N 2 1 383.536 3.805 20 10 GHCDMP COC(=O)c1c(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c2ccccc2n1C ZINC001232403753 1038187596 /nfs/dbraw/zinc/18/75/96/1038187596.db2.gz CHAWVDNSLJXIIQ-GOSISDBHSA-N 2 1 383.536 3.805 20 10 GHCDMP Oc1c(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cccc1C(F)(F)F ZINC001233415978 1039272396 /nfs/dbraw/zinc/27/23/96/1039272396.db2.gz QOLTZRYIWIMXHU-UHFFFAOYSA-N 2 1 386.458 3.735 20 10 GHCDMP CN1CCCc2cc(C[N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)ccc21 ZINC001235360407 1040842880 /nfs/dbraw/zinc/84/28/80/1040842880.db2.gz BVMXBWXDECSMTA-UKILVPOCSA-N 2 1 375.560 3.822 20 10 GHCDMP CC(C)(C)c1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(O)c1 ZINC001235684692 1041154847 /nfs/dbraw/zinc/15/48/47/1041154847.db2.gz ZTOCWBJIUMZBMX-UHFFFAOYSA-N 2 1 382.552 3.540 20 10 GHCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@@H]1c1ccc(Cl)s1 ZINC001235839729 1041369081 /nfs/dbraw/zinc/36/90/81/1041369081.db2.gz WHWLVRUBUIWSHB-MRXNPFEDSA-N 2 1 377.941 3.854 20 10 GHCDMP Cc1ccccc1C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236557436 1041761259 /nfs/dbraw/zinc/76/12/59/1041761259.db2.gz MXRWKROQTOUZQJ-ALOJWSFFSA-N 3 1 392.591 3.677 20 10 GHCDMP COc1cc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c(O)cc1Br ZINC001236661739 1041809785 /nfs/dbraw/zinc/80/97/85/1041809785.db2.gz FZHJZPBXTCOVHM-HNNXBMFYSA-N 2 1 383.330 3.660 20 10 GHCDMP COc1cc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c(O)cc1Br ZINC001236661739 1041809789 /nfs/dbraw/zinc/80/97/89/1041809789.db2.gz FZHJZPBXTCOVHM-HNNXBMFYSA-N 2 1 383.330 3.660 20 10 GHCDMP CCc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c(O)c1 ZINC001236787634 1041893088 /nfs/dbraw/zinc/89/30/88/1041893088.db2.gz LOBDDKJXWZDFLD-FSSWDIPSSA-N 2 1 382.552 3.525 20 10 GHCDMP CCc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(O)c1 ZINC001236787634 1041893092 /nfs/dbraw/zinc/89/30/92/1041893092.db2.gz LOBDDKJXWZDFLD-FSSWDIPSSA-N 2 1 382.552 3.525 20 10 GHCDMP CCc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(O)c1 ZINC001236787634 1041893095 /nfs/dbraw/zinc/89/30/95/1041893095.db2.gz LOBDDKJXWZDFLD-FSSWDIPSSA-N 2 1 382.552 3.525 20 10 GHCDMP COc1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(O)c(OC)c1 ZINC001237677444 1042318441 /nfs/dbraw/zinc/31/84/41/1042318441.db2.gz NGYKUHMXXYGZAY-VQTJNVASSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(O)c(OC)c1 ZINC001237677444 1042318446 /nfs/dbraw/zinc/31/84/46/1042318446.db2.gz NGYKUHMXXYGZAY-VQTJNVASSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(O)c(OC)c1 ZINC001237677444 1042318453 /nfs/dbraw/zinc/31/84/53/1042318453.db2.gz NGYKUHMXXYGZAY-VQTJNVASSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(O)c1OC ZINC001462654162 1070445478 /nfs/dbraw/zinc/44/54/78/1070445478.db2.gz NHAYLBPJVMMMOX-HKBOAZHASA-N 2 1 396.531 3.800 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCOc4c(F)cccc43)cc2F)CC1 ZINC001308352031 1049955926 /nfs/dbraw/zinc/95/59/26/1049955926.db2.gz DBCYJQBXLNTGFU-HXUWFJFHSA-N 2 1 387.474 3.720 20 10 GHCDMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC001308424520 1049973239 /nfs/dbraw/zinc/97/32/39/1049973239.db2.gz KUAMDZYLQPPGKW-XMMPIXPASA-N 2 1 393.575 3.915 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ncc(-c4ccccc4)s3)cc2)CC1 ZINC001308502920 1049992338 /nfs/dbraw/zinc/99/23/38/1049992338.db2.gz ADEQHWXLARFYPW-UHFFFAOYSA-N 2 1 378.545 3.852 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(OCc4ccccc4)CC3)cc2F)CC1 ZINC001319689306 1055398507 /nfs/dbraw/zinc/39/85/07/1055398507.db2.gz QOIZXOOZQWECDP-UHFFFAOYSA-N 2 1 397.538 3.759 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](COCc4ccccc4)C3)cc2F)CC1 ZINC001320510752 1055852316 /nfs/dbraw/zinc/85/23/16/1055852316.db2.gz YJRUIRXGCUTNDP-JOCHJYFZSA-N 2 1 397.538 3.616 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](COCc4ccccc4)C3)cc2F)CC1 ZINC001320510752 1055852337 /nfs/dbraw/zinc/85/23/37/1055852337.db2.gz YJRUIRXGCUTNDP-JOCHJYFZSA-N 2 1 397.538 3.616 20 10 GHCDMP c1ccc(C[N@@H+]2CCCO[C@@H](CNCc3ccc(N4CCCC4)cc3)C2)cc1 ZINC001321106692 1056096298 /nfs/dbraw/zinc/09/62/98/1056096298.db2.gz XSMFHRHMAVPHQZ-DEOSSOPVSA-N 2 1 379.548 3.668 20 10 GHCDMP c1ccc(C[N@H+]2CCCO[C@@H](CNCc3ccc(N4CCCC4)cc3)C2)cc1 ZINC001321106692 1056096311 /nfs/dbraw/zinc/09/63/11/1056096311.db2.gz XSMFHRHMAVPHQZ-DEOSSOPVSA-N 2 1 379.548 3.668 20 10 GHCDMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001200704848 1056773146 /nfs/dbraw/zinc/77/31/46/1056773146.db2.gz WSZDDWBCNYOZLK-ILBGXUMGSA-N 2 1 393.575 3.650 20 10 GHCDMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001200704848 1056773153 /nfs/dbraw/zinc/77/31/53/1056773153.db2.gz WSZDDWBCNYOZLK-ILBGXUMGSA-N 2 1 393.575 3.650 20 10 GHCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001323828486 1057020200 /nfs/dbraw/zinc/02/02/00/1057020200.db2.gz AAEXWFDEQATGKF-UIFIKXQLSA-N 2 1 380.532 3.995 20 10 GHCDMP COc1cc(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)ccc1Cl ZINC001326256577 1057443036 /nfs/dbraw/zinc/44/30/36/1057443036.db2.gz CXPWBIGVPMONQN-UHFFFAOYSA-N 2 1 391.918 3.572 20 10 GHCDMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(O)c1OC ZINC001474386870 1074378717 /nfs/dbraw/zinc/37/87/17/1074378717.db2.gz RQETUUGHMSWQNE-YLJYHZDGSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(O)c1OC ZINC001474386870 1074378725 /nfs/dbraw/zinc/37/87/25/1074378725.db2.gz RQETUUGHMSWQNE-YLJYHZDGSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(O)c1OC ZINC001474386870 1074378731 /nfs/dbraw/zinc/37/87/31/1074378731.db2.gz RQETUUGHMSWQNE-YLJYHZDGSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(O)c1OC ZINC001474386870 1074378738 /nfs/dbraw/zinc/37/87/38/1074378738.db2.gz RQETUUGHMSWQNE-YLJYHZDGSA-N 2 1 384.520 3.894 20 10 GHCDMP C[NH+]1CCN(c2ccc(CNc3[nH+]ccc4c5c([nH]c43)CCCC5)cc2)CC1 ZINC001167431156 840033869 /nfs/dbraw/zinc/03/38/69/840033869.db2.gz JWCHAKKIPXODTE-UHFFFAOYSA-N 2 1 375.520 3.806 20 10 GHCDMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000766120859 857242227 /nfs/dbraw/zinc/24/22/27/857242227.db2.gz CLZHDKPWEILRLJ-NHTMILBNSA-N 2 1 381.564 3.676 20 10 GHCDMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000766120859 857242236 /nfs/dbraw/zinc/24/22/36/857242236.db2.gz CLZHDKPWEILRLJ-NHTMILBNSA-N 2 1 381.564 3.676 20 10 GHCDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(Cl)c(C)cc3O)C2)ccn1 ZINC000856548301 881361785 /nfs/dbraw/zinc/36/17/85/881361785.db2.gz FCVCKKPDIALNOV-IBGZPJMESA-N 2 1 389.927 3.854 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3O)C2)ccn1 ZINC000856548301 881361807 /nfs/dbraw/zinc/36/18/07/881361807.db2.gz FCVCKKPDIALNOV-IBGZPJMESA-N 2 1 389.927 3.854 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)ccn1 ZINC000856548301 881361828 /nfs/dbraw/zinc/36/18/28/881361828.db2.gz FCVCKKPDIALNOV-IBGZPJMESA-N 2 1 389.927 3.854 20 10 GHCDMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCCO1 ZINC000763663645 864165126 /nfs/dbraw/zinc/16/51/26/864165126.db2.gz WVLQIBQNVZLGAO-LJQANCHMSA-N 2 1 384.520 3.562 20 10 GHCDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCCO1 ZINC000763663645 864165136 /nfs/dbraw/zinc/16/51/36/864165136.db2.gz WVLQIBQNVZLGAO-LJQANCHMSA-N 2 1 384.520 3.562 20 10 GHCDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000183196795 866335648 /nfs/dbraw/zinc/33/56/48/866335648.db2.gz IJGLISJFBDVWTK-CMKODMSKSA-N 2 1 389.559 3.966 20 10 GHCDMP COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1OC ZINC000775648075 872272611 /nfs/dbraw/zinc/27/26/11/872272611.db2.gz PSJUZDUPQKXXRR-JOCHJYFZSA-N 2 1 395.547 3.793 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000775708768 873038971 /nfs/dbraw/zinc/03/89/71/873038971.db2.gz OJZAADAREQCZQB-XMMPIXPASA-N 2 1 378.564 3.539 20 10 GHCDMP COc1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(O)c(C(C)(C)C)c1 ZINC000850010703 876594419 /nfs/dbraw/zinc/59/44/19/876594419.db2.gz GLQBUBSUUZDWEQ-UHFFFAOYSA-N 2 1 398.547 3.820 20 10 GHCDMP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccc(C(F)(F)F)c1O ZINC000850483535 876957263 /nfs/dbraw/zinc/95/72/63/876957263.db2.gz QKQKUMAXYHLUNB-AWEZNQCLSA-N 2 1 386.458 3.953 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(C(F)(F)F)c1O ZINC000850509756 876981831 /nfs/dbraw/zinc/98/18/31/876981831.db2.gz RZKVWRJBKGOGOS-WMLDXEAASA-N 2 1 394.437 3.828 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(C(F)(F)F)c1O ZINC000850509756 876981836 /nfs/dbraw/zinc/98/18/36/876981836.db2.gz RZKVWRJBKGOGOS-WMLDXEAASA-N 2 1 394.437 3.828 20 10 GHCDMP COc1cc(O)c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000180181498 878617766 /nfs/dbraw/zinc/61/77/66/878617766.db2.gz PTAMOUSCPQDQIK-PXNSSMCTSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1cc(O)c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000180181498 878617780 /nfs/dbraw/zinc/61/77/80/878617780.db2.gz PTAMOUSCPQDQIK-PXNSSMCTSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1cc(O)c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000180181498 878617789 /nfs/dbraw/zinc/61/77/89/878617789.db2.gz PTAMOUSCPQDQIK-PXNSSMCTSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1cc(O)c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000180181498 878617800 /nfs/dbraw/zinc/61/78/00/878617800.db2.gz PTAMOUSCPQDQIK-PXNSSMCTSA-N 2 1 384.520 3.894 20 10 GHCDMP c1ccc2oc(C[NH2+]Cc3ccc(N4CC[NH+](CC5CC5)CC4)cc3)nc2c1 ZINC000877121763 893497208 /nfs/dbraw/zinc/49/72/08/893497208.db2.gz VHPJYDZVZWULCV-UHFFFAOYSA-N 2 1 376.504 3.650 20 10 GHCDMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817983826 895991602 /nfs/dbraw/zinc/99/16/02/895991602.db2.gz RJTQRLQDQDQLPY-KMFTYDHNSA-N 2 1 388.575 3.683 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccc(F)cc3)c3ccccn3)cc2)CC1 ZINC000883290066 897454464 /nfs/dbraw/zinc/45/44/64/897454464.db2.gz JULQLFUYQPVQOD-DEOSSOPVSA-N 2 1 390.506 3.852 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778643773 897842048 /nfs/dbraw/zinc/84/20/48/897842048.db2.gz WIOJERSTNKTZSH-SIKLNZKXSA-N 2 1 397.538 3.663 20 10 GHCDMP Oc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171520080 904795793 /nfs/dbraw/zinc/79/57/93/904795793.db2.gz LTZLJEQHCJBIHO-QGZVFWFLSA-N 2 1 390.449 3.921 20 10 GHCDMP CO[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccccc1Cl ZINC001177999251 908841694 /nfs/dbraw/zinc/84/16/94/908841694.db2.gz CRQNHKGLOOIJDG-NRFANRHFSA-N 2 1 391.918 3.708 20 10 GHCDMP COc1ccc(C[C@H](C)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001178374228 909020870 /nfs/dbraw/zinc/02/08/70/909020870.db2.gz RESAYPZUZMHEHO-SFHVURJKSA-N 2 1 385.527 3.555 20 10 GHCDMP CC[NH+](CC)CC[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC001181653671 910904946 /nfs/dbraw/zinc/90/49/46/910904946.db2.gz ICAJNXPXQNFSDK-IBGZPJMESA-N 2 1 398.595 3.644 20 10 GHCDMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1)C1CCOCC1 ZINC000834562117 1021273255 /nfs/dbraw/zinc/27/32/55/1021273255.db2.gz CPTDJGSVGFQDJQ-JOCHJYFZSA-N 2 1 396.531 3.659 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]3COCc3ccccc3)cc2)CC1 ZINC001140304453 1021354968 /nfs/dbraw/zinc/35/49/68/1021354968.db2.gz QGWUBYRAODIPSG-DEOSSOPVSA-N 2 1 379.548 3.620 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@](C)(c4ccc(F)cc4)C3)cc2)CC1 ZINC001140306750 1021363103 /nfs/dbraw/zinc/36/31/03/1021363103.db2.gz WMEDNSOBZRBKKY-DEOSSOPVSA-N 2 1 397.538 3.715 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](Oc4cccc(C)n4)C3)cc2)CC1 ZINC001140309478 1021370688 /nfs/dbraw/zinc/37/06/88/1021370688.db2.gz HXCKQOMUVHQZNC-QHCPKHFHSA-N 2 1 394.563 3.575 20 10 GHCDMP Cc1c(O)ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001140746247 1022418256 /nfs/dbraw/zinc/41/82/56/1022418256.db2.gz XDYSTCPYGDXQMW-IOMROCGXSA-N 2 1 381.520 3.534 20 10 GHCDMP Cc1c(O)ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001140746247 1022418262 /nfs/dbraw/zinc/41/82/62/1022418262.db2.gz XDYSTCPYGDXQMW-IOMROCGXSA-N 2 1 381.520 3.534 20 10 GHCDMP Cc1c(O)ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001140746247 1022418270 /nfs/dbraw/zinc/41/82/70/1022418270.db2.gz XDYSTCPYGDXQMW-IOMROCGXSA-N 2 1 381.520 3.534 20 10 GHCDMP Cc1c(O)ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001140746247 1022418275 /nfs/dbraw/zinc/41/82/75/1022418275.db2.gz XDYSTCPYGDXQMW-IOMROCGXSA-N 2 1 381.520 3.534 20 10 GHCDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141077682 1023441999 /nfs/dbraw/zinc/44/19/99/1023441999.db2.gz WOSYLFAETKSIPP-UHFFFAOYSA-N 2 1 376.548 3.828 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)Cc1ccc(Cl)cc1Cl ZINC001204870404 1033134849 /nfs/dbraw/zinc/13/48/49/1033134849.db2.gz SCAGVQZFZWUMSW-UHFFFAOYSA-N 2 1 380.319 3.741 20 10 GHCDMP COc1cc(CN(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C[NH+](C)C)c1O ZINC001139260651 1026109996 /nfs/dbraw/zinc/10/99/96/1026109996.db2.gz OFXYQFWBFJRUEG-JOCHJYFZSA-N 2 1 397.563 3.559 20 10 GHCDMP COc1cc(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)cc(C[NH+](C)C)c1O ZINC001139260651 1026110002 /nfs/dbraw/zinc/11/00/02/1026110002.db2.gz OFXYQFWBFJRUEG-JOCHJYFZSA-N 2 1 397.563 3.559 20 10 GHCDMP COc1cc(C[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)cc(C[NH+](C)C)c1O ZINC001139260651 1026110013 /nfs/dbraw/zinc/11/00/13/1026110013.db2.gz OFXYQFWBFJRUEG-JOCHJYFZSA-N 2 1 397.563 3.559 20 10 GHCDMP CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139259226 1026110488 /nfs/dbraw/zinc/11/04/88/1026110488.db2.gz NMRLHTZAMCVSHU-QFIPXVFZSA-N 2 1 397.563 3.559 20 10 GHCDMP COc1ccc([C@@H]2CSCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001139409920 1026282322 /nfs/dbraw/zinc/28/23/22/1026282322.db2.gz VJNCIJAORFEIED-QHCPKHFHSA-N 2 1 397.588 3.737 20 10 GHCDMP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001203610163 1027474686 /nfs/dbraw/zinc/47/46/86/1027474686.db2.gz XLNZUBJZYITTGV-VLCRHTCISA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001203610163 1027474698 /nfs/dbraw/zinc/47/46/98/1027474698.db2.gz XLNZUBJZYITTGV-VLCRHTCISA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001203610163 1027474710 /nfs/dbraw/zinc/47/47/10/1027474710.db2.gz XLNZUBJZYITTGV-VLCRHTCISA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001203610163 1027474721 /nfs/dbraw/zinc/47/47/21/1027474721.db2.gz XLNZUBJZYITTGV-VLCRHTCISA-N 2 1 395.547 3.918 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC4(CCOCC4)[C@@H]3c3ccccc3)cc2)CC1 ZINC000840962816 1027994368 /nfs/dbraw/zinc/99/43/68/1027994368.db2.gz JTGJOBGUMCLZFU-DEOSSOPVSA-N 2 1 391.559 3.792 20 10 GHCDMP COc1cc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)c(O)cc1O ZINC001231632786 1034793721 /nfs/dbraw/zinc/79/37/21/1034793721.db2.gz DCIQQNWGULBLRN-OAQYLSRUSA-N 2 1 386.492 3.576 20 10 GHCDMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(O)cc1O ZINC001231636105 1034794139 /nfs/dbraw/zinc/79/41/39/1034794139.db2.gz RCACILKCQUNXEL-UHFFFAOYSA-N 2 1 382.504 3.595 20 10 GHCDMP Oc1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@H]2F ZINC001235405639 1040918032 /nfs/dbraw/zinc/91/80/32/1040918032.db2.gz OKISUEHXBOFIPC-MOPGFXCFSA-N 2 1 393.300 3.831 20 10 GHCDMP CCOC(=O)c1c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2ccccc2n1C ZINC001235427120 1040928532 /nfs/dbraw/zinc/92/85/32/1040928532.db2.gz MYJWHBRNGOSSPQ-QZTJIDSGSA-N 2 1 383.536 3.567 20 10 GHCDMP CC[C@@H]1CO[C@](C)(CCC(C)C)[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235964149 1041469592 /nfs/dbraw/zinc/46/95/92/1041469592.db2.gz ZXVHMNDEMSYRND-DENIHFKCSA-N 2 1 375.557 3.565 20 10 GHCDMP CC[C@@H]1CO[C@@](C)(CCC(C)C)[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235964150 1041469828 /nfs/dbraw/zinc/46/98/28/1041469828.db2.gz ZXVHMNDEMSYRND-KNQAVFIVSA-N 2 1 375.557 3.565 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC001236757927 1041875237 /nfs/dbraw/zinc/87/52/37/1041875237.db2.gz QWCQDKFNRHKGHH-DEOSSOPVSA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC001236757927 1041875239 /nfs/dbraw/zinc/87/52/39/1041875239.db2.gz QWCQDKFNRHKGHH-DEOSSOPVSA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(O)c(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001236757927 1041875240 /nfs/dbraw/zinc/87/52/40/1041875240.db2.gz QWCQDKFNRHKGHH-DEOSSOPVSA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(O)c(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OC ZINC001236757927 1041875241 /nfs/dbraw/zinc/87/52/41/1041875241.db2.gz QWCQDKFNRHKGHH-DEOSSOPVSA-N 2 1 396.531 3.898 20 10 GHCDMP Cc1ccc(C)n1-c1ccc(C[N@H+](C2CC[NH2+]CC2)C2CCN(C)CC2)cc1 ZINC001237038880 1041999029 /nfs/dbraw/zinc/99/90/29/1041999029.db2.gz ZDRMFMTXEXFFLG-UHFFFAOYSA-N 2 1 380.580 3.742 20 10 GHCDMP Cc1ccc(C)n1-c1ccc(C[N@@H+](C2CC[NH2+]CC2)C2CCN(C)CC2)cc1 ZINC001237038880 1041999032 /nfs/dbraw/zinc/99/90/32/1041999032.db2.gz ZDRMFMTXEXFFLG-UHFFFAOYSA-N 2 1 380.580 3.742 20 10 GHCDMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)ccc3O)C[C@H]2CC1 ZINC001279197069 1047740225 /nfs/dbraw/zinc/74/02/25/1047740225.db2.gz IMMWILHTOMRLOH-IYBDPMFKSA-N 2 1 375.513 3.640 20 10 GHCDMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@H]2CC1 ZINC001279197069 1047740232 /nfs/dbraw/zinc/74/02/32/1047740232.db2.gz IMMWILHTOMRLOH-IYBDPMFKSA-N 2 1 375.513 3.640 20 10 GHCDMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H]2CC1 ZINC001279197069 1047740240 /nfs/dbraw/zinc/74/02/40/1047740240.db2.gz IMMWILHTOMRLOH-IYBDPMFKSA-N 2 1 375.513 3.640 20 10 GHCDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001308201972 1049911082 /nfs/dbraw/zinc/91/10/82/1049911082.db2.gz ZJISZFMIKJZFQA-UHFFFAOYSA-N 3 1 380.580 3.568 20 10 GHCDMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001308201972 1049911085 /nfs/dbraw/zinc/91/10/85/1049911085.db2.gz ZJISZFMIKJZFQA-UHFFFAOYSA-N 2 1 380.580 3.568 20 10 GHCDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001308201972 1049911087 /nfs/dbraw/zinc/91/10/87/1049911087.db2.gz ZJISZFMIKJZFQA-UHFFFAOYSA-N 2 1 380.580 3.568 20 10 GHCDMP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001337785723 1058262150 /nfs/dbraw/zinc/26/21/50/1058262150.db2.gz QSLSVQAJFKVORK-RXVVDRJESA-N 2 1 379.548 3.786 20 10 GHCDMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001200244813 1065723721 /nfs/dbraw/zinc/72/37/21/1065723721.db2.gz YMSWVDHQQDUXKH-DENIHFKCSA-N 2 1 396.554 3.503 20 10 GHCDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000160675077 840378254 /nfs/dbraw/zinc/37/82/54/840378254.db2.gz VMMIQZPAAHXFEQ-AZUAARDMSA-N 2 1 377.548 3.704 20 10 GHCDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C/C=C\c3ccc(N(C)C)cc3)C2)ccn1 ZINC000856550095 881363766 /nfs/dbraw/zinc/36/37/66/881363766.db2.gz WWSRGDBEZNRLOF-POUSAUBHSA-N 2 1 394.563 3.766 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C/C=C\c3ccc(N(C)C)cc3)C2)ccn1 ZINC000856550095 881363784 /nfs/dbraw/zinc/36/37/84/881363784.db2.gz WWSRGDBEZNRLOF-POUSAUBHSA-N 2 1 394.563 3.766 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C/C=C\c3ccc(N(C)C)cc3)C2)ccn1 ZINC000856550095 881363801 /nfs/dbraw/zinc/36/38/01/881363801.db2.gz WWSRGDBEZNRLOF-POUSAUBHSA-N 2 1 394.563 3.766 20 10 GHCDMP C[N@@H+](Cc1ccc(Br)s1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775647515 872296396 /nfs/dbraw/zinc/29/63/96/872296396.db2.gz WSZNPIXNVUDJRI-UHFFFAOYSA-N 2 1 394.382 3.894 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1nc(C(F)(F)F)cs1 ZINC000785602489 876126096 /nfs/dbraw/zinc/12/60/96/876126096.db2.gz QKZJURSICWNFGI-ZDUSSCGKSA-N 2 1 384.471 3.765 20 10 GHCDMP CCC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1O ZINC000068973637 879332726 /nfs/dbraw/zinc/33/27/26/879332726.db2.gz RFOQKXMTKQWNNM-UHFFFAOYSA-N 2 1 395.547 3.516 20 10 GHCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCC[NH+](Cc1ccccc1)C3)OCO2 ZINC000747466219 886144513 /nfs/dbraw/zinc/14/45/13/886144513.db2.gz NHFCJBTZYCEOEI-QHCPKHFHSA-N 2 1 380.488 3.609 20 10 GHCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@]3(C1)CCC[NH+](Cc1ccccc1)C3)OCO2 ZINC000747466219 886144520 /nfs/dbraw/zinc/14/45/20/886144520.db2.gz NHFCJBTZYCEOEI-QHCPKHFHSA-N 2 1 380.488 3.609 20 10 GHCDMP Oc1cc2c(cc1C[NH+]1CC[C@@]3(C1)CCC[N@H+](Cc1ccccc1)C3)OCO2 ZINC000747466219 886144529 /nfs/dbraw/zinc/14/45/29/886144529.db2.gz NHFCJBTZYCEOEI-QHCPKHFHSA-N 2 1 380.488 3.609 20 10 GHCDMP Oc1cc2c(cc1C[NH+]1CC[C@@]3(C1)CCC[N@@H+](Cc1ccccc1)C3)OCO2 ZINC000747466219 886144535 /nfs/dbraw/zinc/14/45/35/886144535.db2.gz NHFCJBTZYCEOEI-QHCPKHFHSA-N 2 1 380.488 3.609 20 10 GHCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000809756038 887797989 /nfs/dbraw/zinc/79/79/89/887797989.db2.gz OHEPJPAQGZGUBL-UHFFFAOYSA-N 2 1 396.329 3.834 20 10 GHCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000809756038 887797998 /nfs/dbraw/zinc/79/79/98/887797998.db2.gz OHEPJPAQGZGUBL-UHFFFAOYSA-N 2 1 396.329 3.834 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc2c(cc1O)CCCC2 ZINC000186520269 907937617 /nfs/dbraw/zinc/93/76/17/907937617.db2.gz QIRNFAMHNOERCU-VGSWGCGISA-N 2 1 380.532 3.688 20 10 GHCDMP CCCOCc1ccccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001177315067 908521519 /nfs/dbraw/zinc/52/15/19/908521519.db2.gz ITGXSFWWBZGHMP-UHFFFAOYSA-N 2 1 385.527 3.794 20 10 GHCDMP COc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1Cn1cccn1 ZINC001178412125 909047606 /nfs/dbraw/zinc/04/76/06/909047606.db2.gz CGJIDSVLZYXMBZ-UHFFFAOYSA-N 2 1 382.552 3.684 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C(F)(F)F)s3)cc2F)CC1 ZINC001179502631 909572593 /nfs/dbraw/zinc/57/25/93/909572593.db2.gz UXYAQKZPQNIDND-UHFFFAOYSA-N 2 1 387.446 3.948 20 10 GHCDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000749287497 927036170 /nfs/dbraw/zinc/03/61/70/927036170.db2.gz OHRXMODTVYVHAY-RDPSFJRHSA-N 2 1 379.548 3.523 20 10 GHCDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@@H]2CCC[C@H]21 ZINC000796774128 932062156 /nfs/dbraw/zinc/06/21/56/932062156.db2.gz DCTJVPGTICPYDS-XFWGSAIBSA-N 2 1 379.495 3.719 20 10 GHCDMP CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000248447238 1021092277 /nfs/dbraw/zinc/09/22/77/1021092277.db2.gz NKKXNBMIMQHOAM-CYFREDJKSA-N 2 1 381.564 3.950 20 10 GHCDMP CN1CCOc2cc(C[N@@H+](C)CC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC001141143822 1023580042 /nfs/dbraw/zinc/58/00/42/1023580042.db2.gz LMPKTFCNMDGFLN-UHFFFAOYSA-N 2 1 379.548 3.859 20 10 GHCDMP C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c2c1c(F)ccc2O ZINC000756340532 1023596896 /nfs/dbraw/zinc/59/68/96/1023596896.db2.gz FUDLXFYRYQDXSM-HYVNUMGLSA-N 2 1 389.540 3.719 20 10 GHCDMP COc1ccc([C@H]2CSCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001139409919 1026281405 /nfs/dbraw/zinc/28/14/05/1026281405.db2.gz VJNCIJAORFEIED-HSZRJFAPSA-N 2 1 397.588 3.737 20 10 GHCDMP CN(C)c1ccc(/C=C\C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001205741065 1033555325 /nfs/dbraw/zinc/55/53/25/1033555325.db2.gz RKURAQSDJMKEET-YFHOEESVSA-N 2 1 392.591 3.515 20 10 GHCDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(O)ccc3ccccc31)C2 ZINC001231588025 1034741967 /nfs/dbraw/zinc/74/19/67/1034741967.db2.gz RDJJLBJHPYFXGH-RDPSFJRHSA-N 2 1 380.532 3.726 20 10 GHCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC001231588025 1034741980 /nfs/dbraw/zinc/74/19/80/1034741980.db2.gz RDJJLBJHPYFXGH-RDPSFJRHSA-N 2 1 380.532 3.726 20 10 GHCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC001231588025 1034741995 /nfs/dbraw/zinc/74/19/95/1034741995.db2.gz RDJJLBJHPYFXGH-RDPSFJRHSA-N 2 1 380.532 3.726 20 10 GHCDMP COc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)c(O)cc1O ZINC001231634664 1034792572 /nfs/dbraw/zinc/79/25/72/1034792572.db2.gz NKXNYPLDVNLSIX-UHFFFAOYSA-N 2 1 388.533 3.656 20 10 GHCDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC001461919990 1069884788 /nfs/dbraw/zinc/88/47/88/1069884788.db2.gz PMGVPYLKDRNQKS-GOSISDBHSA-N 2 1 378.557 3.631 20 10 GHCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935175 1035101081 /nfs/dbraw/zinc/10/10/81/1035101081.db2.gz IRLJKCXNQUSMQI-XMMPIXPASA-N 2 1 393.575 3.867 20 10 GHCDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208935175 1035101084 /nfs/dbraw/zinc/10/10/84/1035101084.db2.gz IRLJKCXNQUSMQI-XMMPIXPASA-N 2 1 393.575 3.867 20 10 GHCDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208935175 1035101088 /nfs/dbraw/zinc/10/10/88/1035101088.db2.gz IRLJKCXNQUSMQI-XMMPIXPASA-N 2 1 393.575 3.867 20 10 GHCDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(O)ccc4cc(Br)ccc43)C[C@@H]2C1 ZINC001233197359 1038963416 /nfs/dbraw/zinc/96/34/16/1038963416.db2.gz ZCACGQXVHXXVFR-CABCVRRESA-N 2 1 375.310 3.691 20 10 GHCDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@@H]2C1 ZINC001233197359 1038963424 /nfs/dbraw/zinc/96/34/24/1038963424.db2.gz ZCACGQXVHXXVFR-CABCVRRESA-N 2 1 375.310 3.691 20 10 GHCDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@@H]2C1 ZINC001233197359 1038963426 /nfs/dbraw/zinc/96/34/26/1038963426.db2.gz ZCACGQXVHXXVFR-CABCVRRESA-N 2 1 375.310 3.691 20 10 GHCDMP COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001253975930 1039932159 /nfs/dbraw/zinc/93/21/59/1039932159.db2.gz ITTSDAGORXDIPA-QFIPXVFZSA-N 2 1 383.511 3.923 20 10 GHCDMP COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001253975930 1039932163 /nfs/dbraw/zinc/93/21/63/1039932163.db2.gz ITTSDAGORXDIPA-QFIPXVFZSA-N 2 1 383.511 3.923 20 10 GHCDMP Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235229845 1040709815 /nfs/dbraw/zinc/70/98/15/1040709815.db2.gz GMWGOYILDFXMMF-PXNSSMCTSA-N 2 1 392.421 3.555 20 10 GHCDMP Oc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235229845 1040709832 /nfs/dbraw/zinc/70/98/32/1040709832.db2.gz GMWGOYILDFXMMF-PXNSSMCTSA-N 2 1 392.421 3.555 20 10 GHCDMP Oc1c(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)cccc1OC(F)(F)F ZINC001235354320 1040832250 /nfs/dbraw/zinc/83/22/50/1040832250.db2.gz DGYOJBXYSJANQY-YLJYHZDGSA-N 2 1 392.421 3.870 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C[C@H]3CCC[NH2+]C3)C3CCCC3)cc2)CC1 ZINC001236375979 1041687197 /nfs/dbraw/zinc/68/71/97/1041687197.db2.gz NXYIFZHUBUUAIN-QFIPXVFZSA-N 3 1 384.612 3.573 20 10 GHCDMP Fc1cccc2c1CC[C@@]21CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001237189581 1042085244 /nfs/dbraw/zinc/08/52/44/1042085244.db2.gz XILXLXGGENVVGX-XMMPIXPASA-N 2 1 379.523 3.715 20 10 GHCDMP Clc1ccc2c(c1)[C@H]1C[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)CC[C@H]1N2 ZINC001237251094 1042108027 /nfs/dbraw/zinc/10/80/27/1042108027.db2.gz VPCXVLACWQYDNX-IFMALSPDSA-N 2 1 382.939 3.533 20 10 GHCDMP Cc1cc(F)cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1O ZINC001238060770 1042479043 /nfs/dbraw/zinc/47/90/43/1042479043.db2.gz JAHUIFNJAYNYRD-UHFFFAOYSA-N 2 1 390.524 3.768 20 10 GHCDMP Cc1cc(F)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1O ZINC001238060770 1042479045 /nfs/dbraw/zinc/47/90/45/1042479045.db2.gz JAHUIFNJAYNYRD-UHFFFAOYSA-N 2 1 390.524 3.768 20 10 GHCDMP Oc1ccc(F)c(Cl)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccc[nH]3)CC[C@@H]2C1 ZINC001279684258 1047913698 /nfs/dbraw/zinc/91/36/98/1047913698.db2.gz OCEJTLFAPXDLES-GASCZTMLSA-N 2 1 377.891 3.857 20 10 GHCDMP Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318630158 1054759005 /nfs/dbraw/zinc/75/90/05/1054759005.db2.gz OELPFSJNPYAMMK-UHFFFAOYSA-N 2 1 380.511 3.700 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC4(CCCCC4)C3)cc2F)CC1 ZINC001324051561 1057061788 /nfs/dbraw/zinc/06/17/88/1057061788.db2.gz YSHUAWYSNUAEKR-LJQANCHMSA-N 2 1 375.532 3.549 20 10 GHCDMP COc1ccc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc1C ZINC000237264097 843923908 /nfs/dbraw/zinc/92/39/08/843923908.db2.gz IKHSWWZKRDOEEV-UHFFFAOYSA-N 2 1 398.547 3.783 20 10 GHCDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C/C=C\c3ccc(N(C)C)cc3)C2)ccn1 ZINC000856550096 881364894 /nfs/dbraw/zinc/36/48/94/881364894.db2.gz WWSRGDBEZNRLOF-WNWNSBFKSA-N 2 1 394.563 3.766 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C/C=C\c3ccc(N(C)C)cc3)C2)ccn1 ZINC000856550096 881364911 /nfs/dbraw/zinc/36/49/11/881364911.db2.gz WWSRGDBEZNRLOF-WNWNSBFKSA-N 2 1 394.563 3.766 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C/C=C\c3ccc(N(C)C)cc3)C2)ccn1 ZINC000856550096 881364929 /nfs/dbraw/zinc/36/49/29/881364929.db2.gz WWSRGDBEZNRLOF-WNWNSBFKSA-N 2 1 394.563 3.766 20 10 GHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000444258469 863775509 /nfs/dbraw/zinc/77/55/09/863775509.db2.gz HTIKXAXSWYZLCL-SFHVURJKSA-N 2 1 398.595 3.500 20 10 GHCDMP Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741257714 866357810 /nfs/dbraw/zinc/35/78/10/866357810.db2.gz IJGDGCJDURHXGH-RUZDIDTESA-N 2 1 388.511 3.786 20 10 GHCDMP Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000741257714 866357824 /nfs/dbraw/zinc/35/78/24/866357824.db2.gz IJGDGCJDURHXGH-RUZDIDTESA-N 2 1 388.511 3.786 20 10 GHCDMP COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000742172699 867100199 /nfs/dbraw/zinc/10/01/99/867100199.db2.gz UVWDSRWQPWGRGB-KRWDZBQOSA-N 2 1 382.504 3.640 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3cccc4c3OCCO4)cc2)CC1 ZINC000775674453 872702081 /nfs/dbraw/zinc/70/20/81/872702081.db2.gz CBNILWFEJBITKK-JOCHJYFZSA-N 2 1 393.531 3.547 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3C[C@@H](O)c3cccs3)cc2)CC1 ZINC000775736867 873289261 /nfs/dbraw/zinc/28/92/61/873289261.db2.gz YOPOLBCTLHHCLY-LEWJYISDSA-N 2 1 385.577 3.588 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)C2)cc1 ZINC000850488099 876963977 /nfs/dbraw/zinc/96/39/77/876963977.db2.gz LBKRLGMBCFUSIP-ZCVJKFOLSA-N 2 1 379.548 3.774 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)C2)cc1 ZINC000850488099 876963986 /nfs/dbraw/zinc/96/39/86/876963986.db2.gz LBKRLGMBCFUSIP-ZCVJKFOLSA-N 2 1 379.548 3.774 20 10 GHCDMP COc1cc(O)c(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000811517971 889671136 /nfs/dbraw/zinc/67/11/36/889671136.db2.gz FSRQFCKPELMCNE-LJQANCHMSA-N 2 1 384.520 3.801 20 10 GHCDMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cc(Cl)c(F)cc3O)cc2)CC1 ZINC000816603184 894965748 /nfs/dbraw/zinc/96/57/48/894965748.db2.gz BRXLJMHWOFESPP-UHFFFAOYSA-N 2 1 378.875 3.948 20 10 GHCDMP COc1c(O)c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000774908367 914004131 /nfs/dbraw/zinc/00/41/31/914004131.db2.gz GGWZRARGTSTUAD-INIZCTEOSA-N 2 1 391.512 3.786 20 10 GHCDMP COc1c(O)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000774908367 914004149 /nfs/dbraw/zinc/00/41/49/914004149.db2.gz GGWZRARGTSTUAD-INIZCTEOSA-N 2 1 391.512 3.786 20 10 GHCDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796295867 914203623 /nfs/dbraw/zinc/20/36/23/914203623.db2.gz CBTXKDGYDBPVEX-XMMPIXPASA-N 2 1 393.575 3.576 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774973456 914310659 /nfs/dbraw/zinc/31/06/59/914310659.db2.gz AWZHFVIVMVSUSB-INIZCTEOSA-N 2 1 399.491 3.973 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774973456 914310664 /nfs/dbraw/zinc/31/06/64/914310664.db2.gz AWZHFVIVMVSUSB-INIZCTEOSA-N 2 1 399.491 3.973 20 10 GHCDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000090586688 910411697 /nfs/dbraw/zinc/41/16/97/910411697.db2.gz RZRZSEYQSXTDRO-OALUTQOASA-N 2 1 377.548 3.681 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])cc2F)CC1 ZINC001117714959 933994550 /nfs/dbraw/zinc/99/45/50/933994550.db2.gz SALFJJCTRRCBAO-UHFFFAOYSA-N 2 1 386.471 3.511 20 10 GHCDMP c1cc(N2CCCC2)ccc1C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001204326986 1032770520 /nfs/dbraw/zinc/77/05/20/1032770520.db2.gz KRPFUZDYZFMEHB-LADGPHEKSA-N 2 1 383.580 3.610 20 10 GHCDMP c1cc(N2CCCC2)ccc1C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001204326986 1032770539 /nfs/dbraw/zinc/77/05/39/1032770539.db2.gz KRPFUZDYZFMEHB-LADGPHEKSA-N 2 1 383.580 3.610 20 10 GHCDMP c1cc(N2CCCC2)ccc1C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001204326986 1032770550 /nfs/dbraw/zinc/77/05/50/1032770550.db2.gz KRPFUZDYZFMEHB-LADGPHEKSA-N 2 1 383.580 3.610 20 10 GHCDMP c1cc(N2CCCC2)ccc1C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001204326986 1032770568 /nfs/dbraw/zinc/77/05/68/1032770568.db2.gz KRPFUZDYZFMEHB-LADGPHEKSA-N 2 1 383.580 3.610 20 10 GHCDMP COc1cc(Br)cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1O ZINC001204339011 1032780851 /nfs/dbraw/zinc/78/08/51/1032780851.db2.gz QMLUSFYXDHIGPX-UHFFFAOYSA-N 2 1 385.346 3.716 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC001141032996 1023301584 /nfs/dbraw/zinc/30/15/84/1023301584.db2.gz WKYYOIXPWQUEIT-VQTJNVASSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC001141032996 1023301590 /nfs/dbraw/zinc/30/15/90/1023301590.db2.gz WKYYOIXPWQUEIT-VQTJNVASSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC001141032996 1023301597 /nfs/dbraw/zinc/30/15/97/1023301597.db2.gz WKYYOIXPWQUEIT-VQTJNVASSA-N 2 1 396.531 3.753 20 10 GHCDMP CN1CCCc2cc(C[NH+]3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)ccc21 ZINC001138356204 1024720978 /nfs/dbraw/zinc/72/09/78/1024720978.db2.gz FDJQFYZPWOVSFJ-UHFFFAOYSA-N 2 1 390.575 3.952 20 10 GHCDMP COc1cc(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(C[NH+](C)C)c1O ZINC001139252856 1026102682 /nfs/dbraw/zinc/10/26/82/1026102682.db2.gz BTDLVPYWTMSTSA-MOPGFXCFSA-N 2 1 397.563 3.557 20 10 GHCDMP CCN(Cc1cc(C[NH+](C)C)c(O)c(OC)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139258517 1026110057 /nfs/dbraw/zinc/11/00/57/1026110057.db2.gz QFZZELJIDYLVAF-JOCHJYFZSA-N 2 1 397.563 3.559 20 10 GHCDMP CC[N@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001139258517 1026110059 /nfs/dbraw/zinc/11/00/59/1026110059.db2.gz QFZZELJIDYLVAF-JOCHJYFZSA-N 2 1 397.563 3.559 20 10 GHCDMP CC[N@@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001139258517 1026110065 /nfs/dbraw/zinc/11/00/65/1026110065.db2.gz QFZZELJIDYLVAF-JOCHJYFZSA-N 2 1 397.563 3.559 20 10 GHCDMP CCN(CC)c1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1 ZINC001203939664 1027733561 /nfs/dbraw/zinc/73/35/61/1027733561.db2.gz QKTXNWAPELTKNE-UHFFFAOYSA-N 2 1 395.595 3.774 20 10 GHCDMP Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222172606 1029988161 /nfs/dbraw/zinc/98/81/61/1029988161.db2.gz LUYNNANVZYZGIM-JOCHJYFZSA-N 2 1 391.987 3.922 20 10 GHCDMP Clc1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222172606 1029988168 /nfs/dbraw/zinc/98/81/68/1029988168.db2.gz LUYNNANVZYZGIM-JOCHJYFZSA-N 2 1 391.987 3.922 20 10 GHCDMP COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001231855573 1034945964 /nfs/dbraw/zinc/94/59/64/1034945964.db2.gz WEGAPANTQGMGJG-DEOSSOPVSA-N 2 1 379.548 3.859 20 10 GHCDMP COc1cc(N(C)C)ccc1C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001231855573 1034945967 /nfs/dbraw/zinc/94/59/67/1034945967.db2.gz WEGAPANTQGMGJG-DEOSSOPVSA-N 2 1 379.548 3.859 20 10 GHCDMP COc1cc(N(C)C)ccc1C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001231855573 1034945974 /nfs/dbraw/zinc/94/59/74/1034945974.db2.gz WEGAPANTQGMGJG-DEOSSOPVSA-N 2 1 379.548 3.859 20 10 GHCDMP COc1cc(N(C)C)ccc1C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001231855573 1034945978 /nfs/dbraw/zinc/94/59/78/1034945978.db2.gz WEGAPANTQGMGJG-DEOSSOPVSA-N 2 1 379.548 3.859 20 10 GHCDMP CCOc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246945266 1037749130 /nfs/dbraw/zinc/74/91/30/1037749130.db2.gz FVRVHHGXDQVVQK-GMAHTHKFSA-N 2 1 379.548 3.571 20 10 GHCDMP CC(C)(C)c1ccc(O)c(C[N@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c1 ZINC001235558105 1040986442 /nfs/dbraw/zinc/98/64/42/1040986442.db2.gz FWWLBRYOOVQIQT-UHFFFAOYSA-N 2 1 382.552 3.934 20 10 GHCDMP COc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(O)cc1Br ZINC001236375243 1041687750 /nfs/dbraw/zinc/68/77/50/1041687750.db2.gz JSASWLJYOROKRW-AWEZNQCLSA-N 2 1 397.357 3.908 20 10 GHCDMP Clc1ccc(C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C2CC[NH2+]CC2)cc1 ZINC001236454404 1041719636 /nfs/dbraw/zinc/71/96/36/1041719636.db2.gz HVTCZFZTWICOTG-UHFFFAOYSA-N 3 1 398.982 3.504 20 10 GHCDMP Clc1ccc(C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C2CC[NH2+]CC2)cc1 ZINC001236454404 1041719640 /nfs/dbraw/zinc/71/96/40/1041719640.db2.gz HVTCZFZTWICOTG-UHFFFAOYSA-N 3 1 398.982 3.504 20 10 GHCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001236951712 1041968585 /nfs/dbraw/zinc/96/85/85/1041968585.db2.gz ZXCIYNWPNFDXRK-OAQYLSRUSA-N 2 1 379.548 3.647 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)Cc1cccc(OC(F)(F)F)c1 ZINC001237044437 1042003781 /nfs/dbraw/zinc/00/37/81/1042003781.db2.gz WGGXURXQMDWIPJ-UHFFFAOYSA-N 2 1 379.426 3.627 20 10 GHCDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(N4CCCC4)cc3)c2)CCO1 ZINC001308220429 1049917556 /nfs/dbraw/zinc/91/75/56/1049917556.db2.gz XNRNNKKDTNBYRE-HXUWFJFHSA-N 2 1 379.548 3.797 20 10 GHCDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(N4CCCC4)cc3)c2)CCO1 ZINC001308220429 1049917557 /nfs/dbraw/zinc/91/75/57/1049917557.db2.gz XNRNNKKDTNBYRE-HXUWFJFHSA-N 2 1 379.548 3.797 20 10 GHCDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323792860 1057013875 /nfs/dbraw/zinc/01/38/75/1057013875.db2.gz FQNAZTIRXBKFBV-UHFFFAOYSA-N 3 1 398.570 3.661 20 10 GHCDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323792860 1057013886 /nfs/dbraw/zinc/01/38/86/1057013886.db2.gz FQNAZTIRXBKFBV-UHFFFAOYSA-N 3 1 398.570 3.661 20 10 GHCDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323792860 1057013892 /nfs/dbraw/zinc/01/38/92/1057013892.db2.gz FQNAZTIRXBKFBV-UHFFFAOYSA-N 3 1 398.570 3.661 20 10 GHCDMP Oc1cc2c(cc1C[NH2+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3Cc1ccccc1)OCO2 ZINC001347552927 1062489821 /nfs/dbraw/zinc/48/98/21/1062489821.db2.gz YQTXNTNXOMUKJB-IHWFROFDSA-N 2 1 380.488 3.796 20 10 GHCDMP CC[N@H+](Cc1cc(OC)c(OC)cc1O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000160326695 838293850 /nfs/dbraw/zinc/29/38/50/838293850.db2.gz NDAUVPDJSVKLKC-IBGZPJMESA-N 2 1 384.520 3.753 20 10 GHCDMP CC[NH+](Cc1cc(OC)c(OC)cc1O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160326695 838293864 /nfs/dbraw/zinc/29/38/64/838293864.db2.gz NDAUVPDJSVKLKC-IBGZPJMESA-N 2 1 384.520 3.753 20 10 GHCDMP CC[NH+](Cc1cc(OC)c(OC)cc1O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000160326695 838293873 /nfs/dbraw/zinc/29/38/73/838293873.db2.gz NDAUVPDJSVKLKC-IBGZPJMESA-N 2 1 384.520 3.753 20 10 GHCDMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764746799 859589677 /nfs/dbraw/zinc/58/96/77/859589677.db2.gz RFIPZVLLFXLKKI-GOSISDBHSA-N 2 1 377.548 3.968 20 10 GHCDMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764746799 859589682 /nfs/dbraw/zinc/58/96/82/859589682.db2.gz RFIPZVLLFXLKKI-GOSISDBHSA-N 2 1 377.548 3.968 20 10 GHCDMP Oc1c(Br)cccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904477456 860469551 /nfs/dbraw/zinc/46/95/51/860469551.db2.gz XGAPBYCOKVXLRP-QFBILLFUSA-N 2 1 389.293 3.500 20 10 GHCDMP Fc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccc1N1CCOCC1 ZINC000747100918 881895876 /nfs/dbraw/zinc/89/58/76/881895876.db2.gz YEEUSACIVFBGTP-UHFFFAOYSA-N 2 1 375.532 3.549 20 10 GHCDMP CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1NCC12CC[NH+](CC1)CC2)N=[N+]=[N-] ZINC001169794578 871892068 /nfs/dbraw/zinc/89/20/68/871892068.db2.gz PTMNHUNEXJHUCG-ATVHPVEESA-N 2 1 384.484 3.811 20 10 GHCDMP CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775642803 872221257 /nfs/dbraw/zinc/22/12/57/872221257.db2.gz OFVTUUNFVORXHL-UHFFFAOYSA-N 2 1 394.563 3.598 20 10 GHCDMP CCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000775668138 872567725 /nfs/dbraw/zinc/56/77/25/872567725.db2.gz RQOLCRMZROIWMM-FQEVSTJZSA-N 2 1 394.563 3.678 20 10 GHCDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769541481 874099971 /nfs/dbraw/zinc/09/99/71/874099971.db2.gz BWNCGNUYWNFZJZ-OAQYLSRUSA-N 2 1 385.596 4.000 20 10 GHCDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566390 877033011 /nfs/dbraw/zinc/03/30/11/877033011.db2.gz NAXMBOBLOKCZIK-NLFFAJNJSA-N 2 1 393.575 3.648 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850567476 877035055 /nfs/dbraw/zinc/03/50/55/877035055.db2.gz CXBIABSSHDDDAL-NZQKXSOJSA-N 2 1 393.575 3.648 20 10 GHCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2oc3ccccc3c2cc1O ZINC000746647358 877199320 /nfs/dbraw/zinc/19/93/20/877199320.db2.gz IILLTRYEJOFPNA-BVZALQNUSA-N 2 1 380.488 3.975 20 10 GHCDMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000853241052 878925335 /nfs/dbraw/zinc/92/53/35/878925335.db2.gz SORQAZYBOPBDIP-PKOBYXMFSA-N 2 1 391.987 3.949 20 10 GHCDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000853241052 878925350 /nfs/dbraw/zinc/92/53/50/878925350.db2.gz SORQAZYBOPBDIP-PKOBYXMFSA-N 2 1 391.987 3.949 20 10 GHCDMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000790749609 879981429 /nfs/dbraw/zinc/98/14/29/879981429.db2.gz ZAWPOFIXFDMEND-QGZVFWFLSA-N 2 1 379.976 3.949 20 10 GHCDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000090586684 887322297 /nfs/dbraw/zinc/32/22/97/887322297.db2.gz RZRZSEYQSXTDRO-RBUKOAKNSA-N 2 1 377.548 3.681 20 10 GHCDMP Cc1cc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)ccc1N(C)C ZINC000815059814 893398554 /nfs/dbraw/zinc/39/85/54/893398554.db2.gz DHRFRNALYPDERX-UHFFFAOYSA-N 2 1 386.628 3.689 20 10 GHCDMP Cc1cc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1N(C)C ZINC000815059814 893398570 /nfs/dbraw/zinc/39/85/70/893398570.db2.gz DHRFRNALYPDERX-UHFFFAOYSA-N 3 1 386.628 3.689 20 10 GHCDMP Cc1cc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1N(C)C ZINC000815059814 893398586 /nfs/dbraw/zinc/39/85/86/893398586.db2.gz DHRFRNALYPDERX-UHFFFAOYSA-N 3 1 386.628 3.689 20 10 GHCDMP CN(Cc1cccs1)c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000824331961 899559835 /nfs/dbraw/zinc/55/98/35/899559835.db2.gz BWCGFYPPAOBZTL-UHFFFAOYSA-N 2 1 386.609 3.500 20 10 GHCDMP C[NH+]1CCC(C2CC[NH+](Cc3cc(Br)c(F)cc3O)CC2)CC1 ZINC001144300246 901633314 /nfs/dbraw/zinc/63/33/14/901633314.db2.gz YYDNJGAARVMPGG-UHFFFAOYSA-N 2 1 385.321 3.848 20 10 GHCDMP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001172960670 906070627 /nfs/dbraw/zinc/07/06/27/906070627.db2.gz XGMJRHYCWCPWJD-QGZVFWFLSA-N 2 1 391.556 3.592 20 10 GHCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000757634145 929752021 /nfs/dbraw/zinc/75/20/21/929752021.db2.gz ZAVRSAXRHLWMOI-UWVAXJGDSA-N 2 1 382.504 3.740 20 10 GHCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000757634145 929752027 /nfs/dbraw/zinc/75/20/27/929752027.db2.gz ZAVRSAXRHLWMOI-UWVAXJGDSA-N 2 1 382.504 3.740 20 10 GHCDMP CCN(Cc1ccccc1)c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000799346711 932960798 /nfs/dbraw/zinc/96/07/98/932960798.db2.gz QBMHLFYSRHUESZ-UHFFFAOYSA-N 2 1 394.607 3.829 20 10 GHCDMP c1ccc(C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C2CCSCC2)cc1 ZINC001236268844 1032592033 /nfs/dbraw/zinc/59/20/33/1032592033.db2.gz ICIBYBIXEHULMU-UHFFFAOYSA-N 2 1 381.589 3.994 20 10 GHCDMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]Cc2ccc(N4CCOCC4)cc2)C3)cc1 ZINC000779438033 1020787929 /nfs/dbraw/zinc/78/79/29/1020787929.db2.gz CHZUCCBWYLIBJJ-NQDVKAMUSA-N 2 1 391.559 3.808 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccccc3)CC(C)(C)O)cc2)CC1 ZINC001140306191 1021362651 /nfs/dbraw/zinc/36/26/51/1021362651.db2.gz OFNGNPJMMVDUFA-UHFFFAOYSA-N 2 1 381.564 3.602 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](C)OC[C@@H]3c3ccccc3)cc2)CC1 ZINC001140309673 1021371057 /nfs/dbraw/zinc/37/10/57/1021371057.db2.gz PXCCQTNFKAFRIS-GBXCKJPGSA-N 2 1 379.548 3.791 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](C)OC[C@@H]3c3ccccc3)cc2)CC1 ZINC001140309673 1021371074 /nfs/dbraw/zinc/37/10/74/1021371074.db2.gz PXCCQTNFKAFRIS-GBXCKJPGSA-N 2 1 379.548 3.791 20 10 GHCDMP CN(C)c1ccc(/C=C\C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000835047813 1021811137 /nfs/dbraw/zinc/81/11/37/1021811137.db2.gz KQEMFSJKODWMNI-ZKWSMMDQSA-N 2 1 379.548 3.512 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc(F)cc1O ZINC000756779942 1023813175 /nfs/dbraw/zinc/81/31/75/1023813175.db2.gz OLXZJLIWVVIQFT-KRWDZBQOSA-N 2 1 383.511 3.914 20 10 GHCDMP COc1cc(C[N@H+]2CCC[C@H](Oc3ccccc3C)C2)cc(C[NH+](C)C)c1O ZINC001139257111 1026105976 /nfs/dbraw/zinc/10/59/76/1026105976.db2.gz RRWTUDKXJGVAQZ-FQEVSTJZSA-N 2 1 384.520 3.814 20 10 GHCDMP CCC[C@H](C(=O)c1ccccc1)[N@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139260647 1026110327 /nfs/dbraw/zinc/11/03/27/1026110327.db2.gz ODESWMLDIHDNCR-HXUWFJFHSA-N 2 1 384.520 3.946 20 10 GHCDMP CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139260647 1026110335 /nfs/dbraw/zinc/11/03/35/1026110335.db2.gz ODESWMLDIHDNCR-HXUWFJFHSA-N 2 1 384.520 3.946 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H](Cc3cccnc3)C3CCCC3)cc2F)CC1 ZINC001203452263 1027348847 /nfs/dbraw/zinc/34/88/47/1027348847.db2.gz HWSDNMKSOHZXAK-HSZRJFAPSA-N 2 1 396.554 3.864 20 10 GHCDMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cc(OC)ccc2O)CC3)c1 ZINC001203672814 1027523518 /nfs/dbraw/zinc/52/35/18/1027523518.db2.gz FDVIHTRRQTXQPE-UHFFFAOYSA-N 2 1 396.531 3.898 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cc2n(n1)CCCC2 ZINC000842856950 1029635697 /nfs/dbraw/zinc/63/56/97/1029635697.db2.gz LAOFEQSOSOXUOH-IBGZPJMESA-N 2 1 393.579 3.602 20 10 GHCDMP COc1ccc(O)c(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222573712 1030204724 /nfs/dbraw/zinc/20/47/24/1030204724.db2.gz BZCQZMHFWHXXEA-OAQYLSRUSA-N 2 1 396.531 3.704 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3csc(-c4cccs4)n3)cc2)CC1 ZINC001461711900 1069694790 /nfs/dbraw/zinc/69/47/90/1069694790.db2.gz GFKFDRFCCNBPEP-UHFFFAOYSA-N 2 1 384.574 3.913 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1cc(F)ccc1N(C)C ZINC001461832917 1069777560 /nfs/dbraw/zinc/77/75/60/1069777560.db2.gz CDNVPQSHSFLEDH-INIZCTEOSA-N 2 1 388.506 3.633 20 10 GHCDMP [NH3+]C[C@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CCC1(F)F ZINC001205788527 1033572822 /nfs/dbraw/zinc/57/28/22/1033572822.db2.gz ORUFWUDXPWGVAV-LBPRGKRZSA-N 2 1 385.252 3.724 20 10 GHCDMP c1ccc(COc2ccc(N3CC[NH+](C4C[C@H]5CC[C@@H](C4)[NH2+]5)CC3)cc2)cc1 ZINC001247007851 1037832649 /nfs/dbraw/zinc/83/26/49/1037832649.db2.gz WXHBYHUEEMVBEC-TYABSZSSSA-N 2 1 377.532 3.671 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c(O)c1 ZINC001232839522 1038590949 /nfs/dbraw/zinc/59/09/49/1038590949.db2.gz PDLXYQAKXOBVLG-UHFFFAOYSA-N 2 1 396.922 3.982 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(O)c1 ZINC001232842276 1038592340 /nfs/dbraw/zinc/59/23/40/1038592340.db2.gz UWIXZDHNIJRGNP-NHCUHLMSSA-N 2 1 379.548 3.802 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(O)c1 ZINC001232842276 1038592357 /nfs/dbraw/zinc/59/23/57/1038592357.db2.gz UWIXZDHNIJRGNP-NHCUHLMSSA-N 2 1 379.548 3.802 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(O)c1 ZINC001232842276 1038592374 /nfs/dbraw/zinc/59/23/74/1038592374.db2.gz UWIXZDHNIJRGNP-NHCUHLMSSA-N 2 1 379.548 3.802 20 10 GHCDMP COc1cc(Cl)cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1O ZINC001235386636 1040905152 /nfs/dbraw/zinc/90/51/52/1040905152.db2.gz WDCUUOJFDGOARJ-AVRDEDQJSA-N 2 1 386.923 3.807 20 10 GHCDMP Oc1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@H]2F ZINC001235405649 1040918161 /nfs/dbraw/zinc/91/81/61/1040918161.db2.gz OKISUEHXBOFIPC-RTBURBONSA-N 2 1 393.300 3.831 20 10 GHCDMP CN1CCCc2cc(C[N@H+]3CCCn4cnc(C[NH2+]C5CCCC5)c4C3)ccc21 ZINC001235645658 1041083664 /nfs/dbraw/zinc/08/36/64/1041083664.db2.gz IPLQOQHHZVZZLP-UHFFFAOYSA-N 2 1 393.579 3.704 20 10 GHCDMP CC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)Cc1cccc(Br)c1 ZINC001235963749 1041468260 /nfs/dbraw/zinc/46/82/60/1041468260.db2.gz ZPAQMSRGVDACEO-UHFFFAOYSA-N 2 1 388.353 3.881 20 10 GHCDMP CC[N@@H+](Cc1cccc(Br)c1)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001235962141 1041469007 /nfs/dbraw/zinc/46/90/07/1041469007.db2.gz KYDRSRBTSXMNNA-UHFFFAOYSA-N 2 1 391.309 3.659 20 10 GHCDMP COc1cc(O)c(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1Br ZINC001236459227 1041722843 /nfs/dbraw/zinc/72/28/43/1041722843.db2.gz ISDJBDNTWCZDQD-UHFFFAOYSA-N 2 1 385.346 3.763 20 10 GHCDMP COc1cc(O)c(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)cc1Br ZINC001236459227 1041722848 /nfs/dbraw/zinc/72/28/48/1041722848.db2.gz ISDJBDNTWCZDQD-UHFFFAOYSA-N 2 1 385.346 3.763 20 10 GHCDMP CCc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c(O)c1 ZINC001236789705 1041895779 /nfs/dbraw/zinc/89/57/79/1041895779.db2.gz QMBNBVIJGNDZBS-UHFFFAOYSA-N 2 1 380.532 3.822 20 10 GHCDMP C[NH+]1CCN(c2ccc(CNC3CC[NH+](CC4CCCCC4)CC3)cc2)CC1 ZINC001308237283 1049922547 /nfs/dbraw/zinc/92/25/47/1049922547.db2.gz MPWBPWSBLHJKEN-UHFFFAOYSA-N 2 1 384.612 3.573 20 10 GHCDMP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337082506 1052394909 /nfs/dbraw/zinc/39/49/09/1052394909.db2.gz KOCQMJRXWLCDNC-AOMKIAJQSA-N 2 1 389.490 3.582 20 10 GHCDMP CN(CCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccccc1 ZINC001318338672 1054574473 /nfs/dbraw/zinc/57/44/73/1054574473.db2.gz CLBCDRFFZZOXGN-UHFFFAOYSA-N 2 1 384.543 3.584 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCc3ccc(C(F)(F)F)cc3)cc2F)CC1 ZINC001318368528 1054591926 /nfs/dbraw/zinc/59/19/26/1054591926.db2.gz WJWQYBWPADECNS-UHFFFAOYSA-N 2 1 395.444 3.929 20 10 GHCDMP CCN(CC)[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccccc1 ZINC001318419166 1054626263 /nfs/dbraw/zinc/62/62/63/1054626263.db2.gz UODQJSMIUMWOKM-DEOSSOPVSA-N 2 1 398.570 3.750 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC(C)(C)Oc4ccc(N)cc43)cc2F)CC1 ZINC001325625292 1057347057 /nfs/dbraw/zinc/34/70/57/1057347057.db2.gz JTAHJOAFLWTEMP-HXUWFJFHSA-N 2 1 398.526 3.552 20 10 GHCDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000160675208 840377928 /nfs/dbraw/zinc/37/79/28/840377928.db2.gz VMMIQZPAAHXFEQ-UYAOXDASSA-N 2 1 377.548 3.704 20 10 GHCDMP COC(=O)Cc1ccc(CNc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)cc1 ZINC001168567863 856170050 /nfs/dbraw/zinc/17/00/50/856170050.db2.gz WWSOEEKMWPYCGC-FQEVSTJZSA-N 2 1 392.503 3.679 20 10 GHCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765757736 856450812 /nfs/dbraw/zinc/45/08/12/856450812.db2.gz FRYZOIMAMXWZPG-JKSUJKDBSA-N 2 1 376.932 3.668 20 10 GHCDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157919179 857865638 /nfs/dbraw/zinc/86/56/38/857865638.db2.gz BOESIPCADQTKOW-MOPGFXCFSA-N 2 1 377.548 3.825 20 10 GHCDMP CN(C)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C(F)(F)F)c1 ZINC000792977037 881833940 /nfs/dbraw/zinc/83/39/40/881833940.db2.gz HUKRJVQCUHDYQU-GOSISDBHSA-N 2 1 385.474 3.504 20 10 GHCDMP COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000742172700 867100156 /nfs/dbraw/zinc/10/01/56/867100156.db2.gz UVWDSRWQPWGRGB-QGZVFWFLSA-N 2 1 382.504 3.640 20 10 GHCDMP COc1ccc(N2CC[NH+](CCCNc3cc[nH+]c4ccsc43)CC2)cc1 ZINC000742257153 867171484 /nfs/dbraw/zinc/17/14/84/867171484.db2.gz OWYXNVXAHCPNTR-UHFFFAOYSA-N 2 1 382.533 3.929 20 10 GHCDMP COc1ccc(N2CCC([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000742369356 867264149 /nfs/dbraw/zinc/26/41/49/867264149.db2.gz AEFPEMSNVJPWIR-UHFFFAOYSA-N 2 1 379.548 3.918 20 10 GHCDMP Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1O ZINC000808693154 886647291 /nfs/dbraw/zinc/64/72/91/886647291.db2.gz XUCOOZZAXNHULI-UWJYYQICSA-N 2 1 387.955 3.993 20 10 GHCDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876643823 893270216 /nfs/dbraw/zinc/27/02/16/893270216.db2.gz OAYYGRVSQNNXIE-IFMALSPDSA-N 2 1 385.596 3.734 20 10 GHCDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876643823 893270227 /nfs/dbraw/zinc/27/02/27/893270227.db2.gz OAYYGRVSQNNXIE-IFMALSPDSA-N 2 1 385.596 3.734 20 10 GHCDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876643823 893270234 /nfs/dbraw/zinc/27/02/34/893270234.db2.gz OAYYGRVSQNNXIE-IFMALSPDSA-N 2 1 385.596 3.734 20 10 GHCDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876643823 893270244 /nfs/dbraw/zinc/27/02/44/893270244.db2.gz OAYYGRVSQNNXIE-IFMALSPDSA-N 2 1 385.596 3.734 20 10 GHCDMP OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)cc2)CC1 ZINC000876989153 893421276 /nfs/dbraw/zinc/42/12/76/893421276.db2.gz QBTVRRPASHMQEM-FQEVSTJZSA-N 2 1 399.604 3.711 20 10 GHCDMP OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cc2)CC1 ZINC000876989153 893421283 /nfs/dbraw/zinc/42/12/83/893421283.db2.gz QBTVRRPASHMQEM-FQEVSTJZSA-N 2 1 399.604 3.711 20 10 GHCDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000844912058 901519427 /nfs/dbraw/zinc/51/94/27/901519427.db2.gz REVSVIUDZRAGFQ-BKULYWANSA-N 2 1 396.531 3.832 20 10 GHCDMP COc1cc(O)c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1OC ZINC000160115722 904745067 /nfs/dbraw/zinc/74/50/67/904745067.db2.gz AUTDMYNWCBMDNR-UHFFFAOYSA-N 2 1 384.520 3.753 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3(c4ccccc4F)CCC3)cc2F)CC1 ZINC001179082162 909378655 /nfs/dbraw/zinc/37/86/55/909378655.db2.gz ULNAQRCORZFEDI-UHFFFAOYSA-N 2 1 385.502 3.928 20 10 GHCDMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000246867452 910716587 /nfs/dbraw/zinc/71/65/87/910716587.db2.gz DFVFBRUIHSDSET-RTBURBONSA-N 2 1 377.548 3.968 20 10 GHCDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000749287496 927035760 /nfs/dbraw/zinc/03/57/60/927035760.db2.gz OHRXMODTVYVHAY-HYBUGGRVSA-N 2 1 379.548 3.523 20 10 GHCDMP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Oc1ccccc1Cl ZINC001116139097 933357605 /nfs/dbraw/zinc/35/76/05/933357605.db2.gz MWRMRRLSDCUPHU-MRXNPFEDSA-N 2 1 391.918 3.788 20 10 GHCDMP CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116478307 933582400 /nfs/dbraw/zinc/58/24/00/933582400.db2.gz DUUCQFXCRSLXTK-KSFYIVLOSA-N 2 1 389.490 3.582 20 10 GHCDMP COC1CC[NH+](C2CC[NH+](Cc3ccc(N(C)C)c4ccccc34)CC2)CC1 ZINC001204240312 1032685226 /nfs/dbraw/zinc/68/52/26/1032685226.db2.gz OJKVOVZGYDJTEL-UHFFFAOYSA-N 2 1 381.564 3.981 20 10 GHCDMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc(O)c1O ZINC001204344884 1032784776 /nfs/dbraw/zinc/78/47/76/1032784776.db2.gz KHBYQUCGYFJEBH-UHFFFAOYSA-N 2 1 382.504 3.595 20 10 GHCDMP Oc1cccc2c1[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CC13CCOCC3)CC2 ZINC000834811025 1021506557 /nfs/dbraw/zinc/50/65/57/1021506557.db2.gz LWBVGBDHFHOJIN-VXKWHMMOSA-N 2 1 392.543 3.898 20 10 GHCDMP CCN(CC)c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001140853409 1022703261 /nfs/dbraw/zinc/70/32/61/1022703261.db2.gz WWOQJOUFPNTXKP-OALUTQOASA-N 2 1 385.577 3.864 20 10 GHCDMP Cc1c(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c2ccccc2n1C ZINC001138254491 1024477480 /nfs/dbraw/zinc/47/74/80/1024477480.db2.gz ZBFCFAPYKMOUNT-HYBUGGRVSA-N 2 1 381.564 3.667 20 10 GHCDMP Cc1c(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)c2ccccc2n1C ZINC001138254491 1024477487 /nfs/dbraw/zinc/47/74/87/1024477487.db2.gz ZBFCFAPYKMOUNT-HYBUGGRVSA-N 2 1 381.564 3.667 20 10 GHCDMP Cc1c(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c2ccccc2n1C ZINC001138254491 1024477495 /nfs/dbraw/zinc/47/74/95/1024477495.db2.gz ZBFCFAPYKMOUNT-HYBUGGRVSA-N 2 1 381.564 3.667 20 10 GHCDMP COc1cc(C[N@H+]2CCC[C@H](Oc3ccc(C)cc3)C2)cc(C[NH+](C)C)c1O ZINC001139256932 1026106398 /nfs/dbraw/zinc/10/63/98/1026106398.db2.gz NEHKDVNDMOHVSR-NRFANRHFSA-N 2 1 384.520 3.814 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001139411416 1026284488 /nfs/dbraw/zinc/28/44/88/1026284488.db2.gz KSNDMJGQQTWCFF-RUZDIDTESA-N 2 1 392.591 3.535 20 10 GHCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001139411416 1026284500 /nfs/dbraw/zinc/28/45/00/1026284500.db2.gz KSNDMJGQQTWCFF-RUZDIDTESA-N 2 1 392.591 3.535 20 10 GHCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001139411416 1026284513 /nfs/dbraw/zinc/28/45/13/1026284513.db2.gz KSNDMJGQQTWCFF-RUZDIDTESA-N 2 1 392.591 3.535 20 10 GHCDMP Cc1ccc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1O ZINC001140180514 1026953331 /nfs/dbraw/zinc/95/33/31/1026953331.db2.gz IAEZOPIMQXTQJK-URVUXULASA-N 2 1 382.552 3.579 20 10 GHCDMP Cc1ccc(C)c(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c1O ZINC001140180514 1026953335 /nfs/dbraw/zinc/95/33/35/1026953335.db2.gz IAEZOPIMQXTQJK-URVUXULASA-N 2 1 382.552 3.579 20 10 GHCDMP Cc1ccc(C)c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c1O ZINC001140180514 1026953342 /nfs/dbraw/zinc/95/33/42/1026953342.db2.gz IAEZOPIMQXTQJK-URVUXULASA-N 2 1 382.552 3.579 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1cc2n(n1)CCCC2 ZINC000842856956 1029635448 /nfs/dbraw/zinc/63/54/48/1029635448.db2.gz LAOFEQSOSOXUOH-LJQANCHMSA-N 2 1 393.579 3.602 20 10 GHCDMP Cc1cc(O)c(C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC001205740992 1033555694 /nfs/dbraw/zinc/55/56/94/1033555694.db2.gz OZCHDOFDFLOEHT-UHFFFAOYSA-N 2 1 387.955 3.604 20 10 GHCDMP Cc1cc(O)c(C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC001205740992 1033555705 /nfs/dbraw/zinc/55/57/05/1033555705.db2.gz OZCHDOFDFLOEHT-UHFFFAOYSA-N 2 1 387.955 3.604 20 10 GHCDMP COc1cc(Br)cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1O ZINC001236374400 1041686045 /nfs/dbraw/zinc/68/60/45/1041686045.db2.gz QNYSXWOJPZOJID-AWEZNQCLSA-N 2 1 397.357 3.908 20 10 GHCDMP COc1cc(O)c(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(Br)c1 ZINC001236554573 1041760671 /nfs/dbraw/zinc/76/06/71/1041760671.db2.gz LLNHESVVWBNWAY-HDJSIYSDSA-N 2 1 385.346 3.891 20 10 GHCDMP COc1ccccc1C[N@H+](Cc1cc(F)c(F)cc1O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711004 1041848097 /nfs/dbraw/zinc/84/80/97/1041848097.db2.gz ZRNHZJGRZHACQY-QAQDUYKDSA-N 2 1 376.447 3.951 20 10 GHCDMP COc1ccccc1C[N@@H+](Cc1cc(F)c(F)cc1O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711004 1041848104 /nfs/dbraw/zinc/84/81/04/1041848104.db2.gz ZRNHZJGRZHACQY-QAQDUYKDSA-N 2 1 376.447 3.951 20 10 GHCDMP COc1cc(C)c(C[N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)c(O)c1 ZINC001236711161 1041848554 /nfs/dbraw/zinc/84/85/54/1041848554.db2.gz MCMMLLYGRCUMKN-WGSAOQKQSA-N 2 1 384.520 3.990 20 10 GHCDMP COc1cc(O)c(C[N@@H+](Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1OC ZINC001236741943 1041868731 /nfs/dbraw/zinc/86/87/31/1041868731.db2.gz YGIFQCRYOAKPDX-MXVIHJGJSA-N 2 1 384.520 3.990 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1cccc(N2CC[NH+](C)CC2)c1 ZINC001236899304 1041945565 /nfs/dbraw/zinc/94/55/65/1041945565.db2.gz QTCVJNIRGUHOFX-UHFFFAOYSA-N 2 1 378.564 3.671 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236940718 1041965394 /nfs/dbraw/zinc/96/53/94/1041965394.db2.gz SUKMZUVWFUYUNS-UHFFFAOYSA-N 2 1 396.554 3.810 20 10 GHCDMP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237064275 1042017371 /nfs/dbraw/zinc/01/73/71/1042017371.db2.gz ZJDAVNRFFKWYND-INIZCTEOSA-N 2 1 382.382 3.690 20 10 GHCDMP Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)N(C)C ZINC001320617686 1055904312 /nfs/dbraw/zinc/90/43/12/1055904312.db2.gz GTXGOOUYLBKGBP-YADARESESA-N 2 1 398.570 3.667 20 10 GHCDMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(N3CCCC3)cc2)[C@H](c2ccccc2)C1 ZINC001322600039 1056766068 /nfs/dbraw/zinc/76/60/68/1056766068.db2.gz GYWILXHQZWKWFM-VWLOTQADSA-N 2 1 392.591 3.755 20 10 GHCDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001200820547 1056988786 /nfs/dbraw/zinc/98/87/86/1056988786.db2.gz IOFLPOCBQXBGOI-XXBNENTESA-N 2 1 397.538 3.663 20 10 GHCDMP COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001324746272 1057217704 /nfs/dbraw/zinc/21/77/04/1057217704.db2.gz KPHLTSBTFQBMJO-LJQANCHMSA-N 2 1 383.511 3.576 20 10 GHCDMP COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001324746272 1057217708 /nfs/dbraw/zinc/21/77/08/1057217708.db2.gz KPHLTSBTFQBMJO-LJQANCHMSA-N 2 1 383.511 3.576 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3csc(C(F)(F)F)c3)cc2F)CC1 ZINC001348110400 1062923083 /nfs/dbraw/zinc/92/30/83/1062923083.db2.gz ILRXGGIZHHPLSE-UHFFFAOYSA-N 2 1 387.446 3.948 20 10 GHCDMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764761262 859597882 /nfs/dbraw/zinc/59/78/82/859597882.db2.gz IRAFXDSETHAQPJ-LJQANCHMSA-N 2 1 397.538 3.761 20 10 GHCDMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764761262 859597889 /nfs/dbraw/zinc/59/78/89/859597889.db2.gz IRAFXDSETHAQPJ-LJQANCHMSA-N 2 1 397.538 3.761 20 10 GHCDMP COc1cc(Br)cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1O ZINC000768925406 873694574 /nfs/dbraw/zinc/69/45/74/873694574.db2.gz DBKTYQBKEKTUEC-UHFFFAOYSA-N 2 1 385.346 3.716 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)C2)cc1 ZINC000850488095 876963730 /nfs/dbraw/zinc/96/37/30/876963730.db2.gz LBKRLGMBCFUSIP-NHCICSSKSA-N 2 1 379.548 3.774 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)C2)cc1 ZINC000850488095 876963740 /nfs/dbraw/zinc/96/37/40/876963740.db2.gz LBKRLGMBCFUSIP-NHCICSSKSA-N 2 1 379.548 3.774 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nc(-c4ccccc4F)cs3)cc2)CC1 ZINC000811496523 889649348 /nfs/dbraw/zinc/64/93/48/889649348.db2.gz BGPWQCUWFUUXLN-UHFFFAOYSA-N 2 1 396.535 3.991 20 10 GHCDMP CN(C)c1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000815149461 893522741 /nfs/dbraw/zinc/52/27/41/893522741.db2.gz NZSHVQGIDTUEEM-QHCPKHFHSA-N 2 1 393.575 3.771 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)ccc1[N+](=O)[O-] ZINC000774988887 914375747 /nfs/dbraw/zinc/37/57/47/914375747.db2.gz HKUIFMZADOSRDW-UHFFFAOYSA-N 2 1 399.491 3.975 20 10 GHCDMP COc1c(O)c(C[NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000775034372 914648626 /nfs/dbraw/zinc/64/86/26/914648626.db2.gz RFEAFVWWWBBRQI-AEFFLSMTSA-N 2 1 399.491 3.699 20 10 GHCDMP COc1c(O)c(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000775034372 914648630 /nfs/dbraw/zinc/64/86/30/914648630.db2.gz RFEAFVWWWBBRQI-AEFFLSMTSA-N 2 1 399.491 3.699 20 10 GHCDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000186999486 908017091 /nfs/dbraw/zinc/01/70/91/908017091.db2.gz WSJZOQGHCRTXQD-MRXNPFEDSA-N 2 1 398.389 3.531 20 10 GHCDMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)c1 ZINC001116565085 933636860 /nfs/dbraw/zinc/63/68/60/933636860.db2.gz HKBPXRHNTWSSLY-GHTZIAJQSA-N 2 1 398.547 3.996 20 10 GHCDMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204240654 1032684783 /nfs/dbraw/zinc/68/47/83/1032684783.db2.gz AMTGSERUKHSIOF-OAQYLSRUSA-N 2 1 381.564 3.981 20 10 GHCDMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204240654 1032684793 /nfs/dbraw/zinc/68/47/93/1032684793.db2.gz AMTGSERUKHSIOF-OAQYLSRUSA-N 2 1 381.564 3.981 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3C[C@@H]3CCC[NH+]3C)cc2)CC1 ZINC001140306769 1021363847 /nfs/dbraw/zinc/36/38/47/1021363847.db2.gz XANNFCTVGFASRQ-ZEQRLZLVSA-N 3 1 384.612 3.667 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)cc2)CC1 ZINC001140306769 1021363864 /nfs/dbraw/zinc/36/38/64/1021363864.db2.gz XANNFCTVGFASRQ-ZEQRLZLVSA-N 3 1 384.612 3.667 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[NH+]3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)cc2)CC1 ZINC001140306769 1021363881 /nfs/dbraw/zinc/36/38/81/1021363881.db2.gz XANNFCTVGFASRQ-ZEQRLZLVSA-N 3 1 384.612 3.667 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](Oc4ncccc4C)C3)cc2)CC1 ZINC001140309767 1021370882 /nfs/dbraw/zinc/37/08/82/1021370882.db2.gz UCSFMIKGAJYHED-QHCPKHFHSA-N 2 1 394.563 3.575 20 10 GHCDMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccc(O)c(C)c1O)CC2 ZINC001140744817 1022411596 /nfs/dbraw/zinc/41/15/96/1022411596.db2.gz MMZLGALNDYQFQZ-UHFFFAOYSA-N 2 1 385.508 3.642 20 10 GHCDMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccc(O)c(C)c1O)CC2 ZINC001140744817 1022411604 /nfs/dbraw/zinc/41/16/04/1022411604.db2.gz MMZLGALNDYQFQZ-UHFFFAOYSA-N 2 1 385.508 3.642 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cc2c(cc1O)CCCC2 ZINC000756433193 1023645824 /nfs/dbraw/zinc/64/58/24/1023645824.db2.gz AMBVKTWPIUJMOF-IBGZPJMESA-N 2 1 393.575 3.869 20 10 GHCDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc2ccccc2c1O ZINC000756606167 1023734376 /nfs/dbraw/zinc/73/43/76/1023734376.db2.gz WDGXDMOPCPZYSB-KOSHJBKYSA-N 2 1 376.500 3.833 20 10 GHCDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc2ccccc2c1O ZINC000756606167 1023734383 /nfs/dbraw/zinc/73/43/83/1023734383.db2.gz WDGXDMOPCPZYSB-KOSHJBKYSA-N 2 1 376.500 3.833 20 10 GHCDMP Cc1cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)ccc1N(C)C ZINC001139671162 1026526299 /nfs/dbraw/zinc/52/62/99/1026526299.db2.gz SWQDRHWRRSZYRM-OAQYLSRUSA-N 2 1 397.563 3.910 20 10 GHCDMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(O)c(O)c2)CC3)c1 ZINC001203876743 1027675640 /nfs/dbraw/zinc/67/56/40/1027675640.db2.gz IMQWQCQVTMXUBC-UHFFFAOYSA-N 2 1 382.504 3.595 20 10 GHCDMP Cc1cc(N(C)C)ccc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000840916906 1027955643 /nfs/dbraw/zinc/95/56/43/1027955643.db2.gz NOZSIUVWRYKXJD-UHFFFAOYSA-N 2 1 386.628 3.689 20 10 GHCDMP Cc1cc(N(C)C)ccc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000840916906 1027955649 /nfs/dbraw/zinc/95/56/49/1027955649.db2.gz NOZSIUVWRYKXJD-UHFFFAOYSA-N 3 1 386.628 3.689 20 10 GHCDMP Cc1cc(N(C)C)ccc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000840916906 1027955657 /nfs/dbraw/zinc/95/56/57/1027955657.db2.gz NOZSIUVWRYKXJD-UHFFFAOYSA-N 3 1 386.628 3.689 20 10 GHCDMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)CC23CC3)cc1 ZINC000842668819 1029473406 /nfs/dbraw/zinc/47/34/06/1029473406.db2.gz JXJFLETXJADPJD-HSZRJFAPSA-N 2 1 391.559 3.810 20 10 GHCDMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)CC23CC3)cc1 ZINC000842668819 1029473410 /nfs/dbraw/zinc/47/34/10/1029473410.db2.gz JXJFLETXJADPJD-HSZRJFAPSA-N 2 1 391.559 3.810 20 10 GHCDMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C1 ZINC001231586851 1034739028 /nfs/dbraw/zinc/73/90/28/1034739028.db2.gz MTKOEMRDTYKBOW-LJQANCHMSA-N 2 1 396.531 3.785 20 10 GHCDMP COc1cc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)c(O)cc1O ZINC001231639680 1034797154 /nfs/dbraw/zinc/79/71/54/1034797154.db2.gz ZCXMABNPVKGEGN-UHFFFAOYSA-N 2 1 396.531 3.985 20 10 GHCDMP CC(C)[C@H]1C[C@H]([NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)CC[NH2+]1 ZINC001247000767 1037827361 /nfs/dbraw/zinc/82/73/61/1037827361.db2.gz OJBIZUOFYHGQOR-ISKFKSNPSA-N 2 1 394.563 3.559 20 10 GHCDMP CCCCN(CCCC)c1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(O)c1 ZINC001235039734 1040533401 /nfs/dbraw/zinc/53/34/01/1040533401.db2.gz HRKUSYLRXLQPQK-NFBKMPQASA-N 2 1 389.584 3.609 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccccc3)C3CC[NH2+]CC3)cc2)CC1 ZINC001236300545 1041665425 /nfs/dbraw/zinc/66/54/25/1041665425.db2.gz RMPYMQTYDQRAKP-UHFFFAOYSA-N 3 1 392.591 3.583 20 10 GHCDMP CC[NH+]1CCN(c2ccc(CN(Cc3ccccc3)C3CC[NH2+]CC3)cc2)CC1 ZINC001236300545 1041665428 /nfs/dbraw/zinc/66/54/28/1041665428.db2.gz RMPYMQTYDQRAKP-UHFFFAOYSA-N 2 1 392.591 3.583 20 10 GHCDMP COc1cc(O)c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1Br ZINC001236376076 1041687422 /nfs/dbraw/zinc/68/74/22/1041687422.db2.gz OXLNGECAUBBTIQ-CQSZACIVSA-N 2 1 397.357 3.908 20 10 GHCDMP COc1cc(O)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)cc1Br ZINC001236376076 1041687429 /nfs/dbraw/zinc/68/74/29/1041687429.db2.gz OXLNGECAUBBTIQ-CQSZACIVSA-N 2 1 397.357 3.908 20 10 GHCDMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)Cc2ccccc2F)CC1 ZINC001236536125 1041755901 /nfs/dbraw/zinc/75/59/01/1041755901.db2.gz BGMIWLMPNAMGIK-AFARHQOCSA-N 3 1 396.554 3.507 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)Cc1cccc2cccnc21 ZINC001236934183 1041964094 /nfs/dbraw/zinc/96/40/94/1041964094.db2.gz DRXGPDJBQHXBAS-UHFFFAOYSA-N 2 1 378.495 3.758 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCSC[C@H]3c3ccccc3)c(F)c2)CC1 ZINC001236934064 1041964222 /nfs/dbraw/zinc/96/42/22/1041964222.db2.gz CELKYVVTAYEYQI-QFIPXVFZSA-N 2 1 385.552 3.868 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCSC[C@H]3c3ccccc3)c(F)c2)CC1 ZINC001236934064 1041964224 /nfs/dbraw/zinc/96/42/24/1041964224.db2.gz CELKYVVTAYEYQI-QFIPXVFZSA-N 2 1 385.552 3.868 20 10 GHCDMP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc(N(C)C)cc1 ZINC001319189739 1055089082 /nfs/dbraw/zinc/08/90/82/1055089082.db2.gz IYCATTDTWAPCSO-XMMPIXPASA-N 2 1 380.580 3.741 20 10 GHCDMP CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001320510859 1055851725 /nfs/dbraw/zinc/85/17/25/1055851725.db2.gz ZUMMEEZMAZNCHY-VLCRHTCISA-N 2 1 389.559 3.603 20 10 GHCDMP CCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001320510859 1055851744 /nfs/dbraw/zinc/85/17/44/1055851744.db2.gz ZUMMEEZMAZNCHY-VLCRHTCISA-N 2 1 389.559 3.603 20 10 GHCDMP C[NH+](Cc1cncc(C[N@H+](C)Cc2ccccc2O)c1)Cc1ccccc1O ZINC001324425053 1057130939 /nfs/dbraw/zinc/13/09/39/1057130939.db2.gz PXORHFZBIQHCJO-UHFFFAOYSA-N 2 1 377.488 3.757 20 10 GHCDMP COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1O ZINC000848525693 1057149414 /nfs/dbraw/zinc/14/94/14/1057149414.db2.gz SJBARTDVCNHICR-RYUDHWBXSA-N 2 1 382.302 3.655 20 10 GHCDMP COc1cc(O)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1OC ZINC000160424660 839057527 /nfs/dbraw/zinc/05/75/27/839057527.db2.gz OLJBIHUSYBXBRS-KRWDZBQOSA-N 2 1 376.541 3.886 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000278900941 843642872 /nfs/dbraw/zinc/64/28/72/843642872.db2.gz RCBNXRFAJDKIJC-UHFFFAOYSA-N 2 1 385.464 3.585 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)cc2)CC1 ZINC000775650408 872321216 /nfs/dbraw/zinc/32/12/16/872321216.db2.gz ZUKWXXDCOYGDBG-FQEVSTJZSA-N 2 1 390.531 3.959 20 10 GHCDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769193097 873847056 /nfs/dbraw/zinc/84/70/56/873847056.db2.gz ZIDFJYMNZSTAID-SZPZYZBQSA-N 2 1 384.612 3.667 20 10 GHCDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769193097 873847074 /nfs/dbraw/zinc/84/70/74/873847074.db2.gz ZIDFJYMNZSTAID-SZPZYZBQSA-N 2 1 384.612 3.667 20 10 GHCDMP COc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(O)c(C(C)(C)C)c1 ZINC000850357787 876848087 /nfs/dbraw/zinc/84/80/87/876848087.db2.gz VHXMOAJKMRZPTM-FQEVSTJZSA-N 2 1 398.547 3.555 20 10 GHCDMP C[C@@H]1C[C@@H](NC2CC[NH+](Cc3ccccc3O)CC2)C[N@H+]1Cc1ccccc1 ZINC001171733099 904960977 /nfs/dbraw/zinc/96/09/77/904960977.db2.gz IIXOFNKPTUAZOX-AUSIDOKSSA-N 2 1 379.548 3.609 20 10 GHCDMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1O ZINC000186127594 907882412 /nfs/dbraw/zinc/88/24/12/907882412.db2.gz HUEMPHHAWNGZQF-BVGQSLNGSA-N 2 1 397.357 3.573 20 10 GHCDMP CCCOc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c(C)c1 ZINC001116746013 933733245 /nfs/dbraw/zinc/73/32/45/933733245.db2.gz CXKILIMEZYGAMU-UHFFFAOYSA-N 2 1 385.527 3.965 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3CC(=O)OC(C)(C)C)cc2)CC1 ZINC001140306201 1021362566 /nfs/dbraw/zinc/36/25/66/1021362566.db2.gz OZAMCWXXEMSAQS-NRFANRHFSA-N 2 1 387.568 3.525 20 10 GHCDMP Oc1cccc(Cl)c1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001140344042 1021458483 /nfs/dbraw/zinc/45/84/83/1021458483.db2.gz FCHFBKAHQMAYBB-UHFFFAOYSA-N 2 1 386.923 3.913 20 10 GHCDMP CN1CCOc2cc(C[NH+]3CCC4(CC[C@H]4[N@@H+](C)Cc4ccco4)CC3)ccc21 ZINC001141142401 1023574570 /nfs/dbraw/zinc/57/45/70/1023574570.db2.gz OIGJXCBCSQCQCS-HSZRJFAPSA-N 2 1 395.547 3.985 20 10 GHCDMP COc1cc(CN2CCC([N@@H+](C)Cc3ccccc3)CC2)cc(C[NH+](C)C)c1O ZINC001139256939 1026105878 /nfs/dbraw/zinc/10/58/78/1026105878.db2.gz NGECOQJAHQNWDV-UHFFFAOYSA-N 2 1 397.563 3.559 20 10 GHCDMP COc1cc(C[N@H+]2CCC[C@H](Sc3ccncc3)C2)cc(C[NH+](C)C)c1O ZINC001139256667 1026106001 /nfs/dbraw/zinc/10/60/01/1026106001.db2.gz GOKVLRKGYHWFBC-IBGZPJMESA-N 2 1 387.549 3.614 20 10 GHCDMP Oc1c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc2c3c1CCCN3CCC2 ZINC001222159965 1029982614 /nfs/dbraw/zinc/98/26/14/1029982614.db2.gz AVGDSSUDIFCRER-XMMPIXPASA-N 2 1 383.580 3.837 20 10 GHCDMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1cc(C)n(-c3ccccc3)c1C)CC[NH2+]CC2 ZINC001222221407 1030015843 /nfs/dbraw/zinc/01/58/43/1030015843.db2.gz MOAUIKCEVJXQDM-JOCHJYFZSA-N 2 1 395.547 3.601 20 10 GHCDMP CCN(CC)c1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(OC)c1 ZINC001222602239 1030226271 /nfs/dbraw/zinc/22/62/71/1030226271.db2.gz LHCJNVIVBCYQEU-JOCHJYFZSA-N 2 1 379.548 3.730 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(OC)c1 ZINC001222602239 1030226285 /nfs/dbraw/zinc/22/62/85/1030226285.db2.gz LHCJNVIVBCYQEU-JOCHJYFZSA-N 2 1 379.548 3.730 20 10 GHCDMP Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1C[C@@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222614595 1030237354 /nfs/dbraw/zinc/23/73/54/1030237354.db2.gz HJLIDXBFAZETIP-SFHVURJKSA-N 2 1 392.421 3.522 20 10 GHCDMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001206755208 1033970158 /nfs/dbraw/zinc/97/01/58/1033970158.db2.gz DXALBKGWIVWTGB-UHFFFAOYSA-N 2 1 393.300 3.786 20 10 GHCDMP Cc1cccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1O ZINC001231592709 1034747490 /nfs/dbraw/zinc/74/74/90/1034747490.db2.gz OZWUNNSFSLOTDP-QFIPXVFZSA-N 2 1 380.532 3.956 20 10 GHCDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc4ccccc4c3O)C2)C1 ZINC001231878824 1034962604 /nfs/dbraw/zinc/96/26/04/1034962604.db2.gz PYKWBBJSWIQGQD-ZJSXRUAMSA-N 2 1 380.532 3.726 20 10 GHCDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc4ccccc4c3O)C2)C1 ZINC001231878824 1034962607 /nfs/dbraw/zinc/96/26/07/1034962607.db2.gz PYKWBBJSWIQGQD-ZJSXRUAMSA-N 2 1 380.532 3.726 20 10 GHCDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc4ccccc4c3O)C2)C1 ZINC001231878824 1034962612 /nfs/dbraw/zinc/96/26/12/1034962612.db2.gz PYKWBBJSWIQGQD-ZJSXRUAMSA-N 2 1 380.532 3.726 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)c1 ZINC001232841056 1038592054 /nfs/dbraw/zinc/59/20/54/1038592054.db2.gz RDMBEBWZEOFWIJ-DEOSSOPVSA-N 2 1 379.548 3.946 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(O)c1 ZINC001232841056 1038592058 /nfs/dbraw/zinc/59/20/58/1038592058.db2.gz RDMBEBWZEOFWIJ-DEOSSOPVSA-N 2 1 379.548 3.946 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(O)c1 ZINC001232841056 1038592064 /nfs/dbraw/zinc/59/20/64/1038592064.db2.gz RDMBEBWZEOFWIJ-DEOSSOPVSA-N 2 1 379.548 3.946 20 10 GHCDMP Oc1cc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)cc(O)c1O ZINC001233014785 1038768987 /nfs/dbraw/zinc/76/89/87/1038768987.db2.gz CAIGTRIKHLOXMT-UHFFFAOYSA-N 2 1 382.504 3.682 20 10 GHCDMP Oc1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001233453673 1039338842 /nfs/dbraw/zinc/33/88/42/1039338842.db2.gz PLJKSVIVFVEXSI-AEFFLSMTSA-N 2 1 391.437 3.760 20 10 GHCDMP Oc1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001233453673 1039338858 /nfs/dbraw/zinc/33/88/58/1039338858.db2.gz PLJKSVIVFVEXSI-AEFFLSMTSA-N 2 1 391.437 3.760 20 10 GHCDMP Oc1cc(C(F)(F)F)ccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001233453673 1039338910 /nfs/dbraw/zinc/33/89/10/1039338910.db2.gz PLJKSVIVFVEXSI-AEFFLSMTSA-N 2 1 391.437 3.760 20 10 GHCDMP C[N@@H+]1CCC[C@H]([NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC001254533506 1040306292 /nfs/dbraw/zinc/30/62/92/1040306292.db2.gz LQDVZJVFJGXSMP-QFIPXVFZSA-N 2 1 379.548 3.872 20 10 GHCDMP C[N@H+]1CCC[C@H]([NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC001254533506 1040306306 /nfs/dbraw/zinc/30/63/06/1040306306.db2.gz LQDVZJVFJGXSMP-QFIPXVFZSA-N 2 1 379.548 3.872 20 10 GHCDMP CN1CCCc2cc(C[N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@H]4C3)ccc21 ZINC001235360408 1040843581 /nfs/dbraw/zinc/84/35/81/1040843581.db2.gz BVMXBWXDECSMTA-ZCYQVOJMSA-N 2 1 375.560 3.822 20 10 GHCDMP CC[C@H]1CO[C@@](C)(CCC(C)C)[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235964152 1041468454 /nfs/dbraw/zinc/46/84/54/1041468454.db2.gz ZXVHMNDEMSYRND-UGKGYDQZSA-N 2 1 375.557 3.565 20 10 GHCDMP COc1cc(C)c(C[N@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)c(O)c1 ZINC001236504468 1041743664 /nfs/dbraw/zinc/74/36/64/1041743664.db2.gz LXQMISCVJKYTOD-UHFFFAOYSA-N 2 1 376.447 3.742 20 10 GHCDMP COc1cc(C)c(C[N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)c(O)c1 ZINC001236504468 1041743668 /nfs/dbraw/zinc/74/36/68/1041743668.db2.gz LXQMISCVJKYTOD-UHFFFAOYSA-N 2 1 376.447 3.742 20 10 GHCDMP COCCC[N@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@H]1CC[NH2+]C1 ZINC001236946118 1041966938 /nfs/dbraw/zinc/96/69/38/1041966938.db2.gz LLZRFNVTZICIJZ-INIZCTEOSA-N 2 1 393.325 3.508 20 10 GHCDMP COCCC[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@H]1CC[NH2+]C1 ZINC001236946118 1041966944 /nfs/dbraw/zinc/96/69/44/1041966944.db2.gz LLZRFNVTZICIJZ-INIZCTEOSA-N 2 1 393.325 3.508 20 10 GHCDMP Oc1cc(F)c(Br)cc1C[NH+]1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236962421 1041971175 /nfs/dbraw/zinc/97/11/75/1041971175.db2.gz YBJSMIWIKDLNLM-UHFFFAOYSA-N 2 1 385.321 3.896 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4Nc5ccc(Cl)cc5[C@H]4C3)cc2)CC1 ZINC001237229593 1042098031 /nfs/dbraw/zinc/09/80/31/1042098031.db2.gz DGNBPXCZCXKVOF-GGAORHGYSA-N 2 1 396.966 3.875 20 10 GHCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001256523118 1043448167 /nfs/dbraw/zinc/44/81/67/1043448167.db2.gz NCKLINWKSZIMTP-QPPBQGQZSA-N 3 1 392.591 3.581 20 10 GHCDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(N4CCCC4)cc3)C2)ccn1 ZINC001328524915 1050535190 /nfs/dbraw/zinc/53/51/90/1050535190.db2.gz HQNQGLSKLVKALZ-XMMPIXPASA-N 2 1 394.563 3.787 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)ccn1 ZINC001328524915 1050535205 /nfs/dbraw/zinc/53/52/05/1050535205.db2.gz HQNQGLSKLVKALZ-XMMPIXPASA-N 2 1 394.563 3.787 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)ccn1 ZINC001328524915 1050535222 /nfs/dbraw/zinc/53/52/22/1050535222.db2.gz HQNQGLSKLVKALZ-XMMPIXPASA-N 2 1 394.563 3.787 20 10 GHCDMP c1ccc(C[N@@H+]2CCCO[C@H](CNCc3ccc(N4CCCC4)cc3)C2)cc1 ZINC001321106693 1056095662 /nfs/dbraw/zinc/09/56/62/1056095662.db2.gz XSMFHRHMAVPHQZ-XMMPIXPASA-N 2 1 379.548 3.668 20 10 GHCDMP c1ccc(C[N@H+]2CCCO[C@H](CNCc3ccc(N4CCCC4)cc3)C2)cc1 ZINC001321106693 1056095676 /nfs/dbraw/zinc/09/56/76/1056095676.db2.gz XSMFHRHMAVPHQZ-XMMPIXPASA-N 2 1 379.548 3.668 20 10 GHCDMP COc1ccc([C@@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4O)CC3)CCO2)cc1 ZINC001168619467 855140509 /nfs/dbraw/zinc/14/05/09/855140509.db2.gz ZCQKSMKHRJHCMG-QPPBQGQZSA-N 2 1 396.531 3.875 20 10 GHCDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(O)cc(C)cc3Cl)C2)ccn1 ZINC000856550487 881364683 /nfs/dbraw/zinc/36/46/83/881364683.db2.gz ZTCDPYZUVACLNE-GOSISDBHSA-N 2 1 389.927 3.854 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3c(O)cc(C)cc3Cl)C2)ccn1 ZINC000856550487 881364705 /nfs/dbraw/zinc/36/47/05/881364705.db2.gz ZTCDPYZUVACLNE-GOSISDBHSA-N 2 1 389.927 3.854 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3c(O)cc(C)cc3Cl)C2)ccn1 ZINC000856550487 881364728 /nfs/dbraw/zinc/36/47/28/881364728.db2.gz ZTCDPYZUVACLNE-GOSISDBHSA-N 2 1 389.927 3.854 20 10 GHCDMP CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000182243450 872104183 /nfs/dbraw/zinc/10/41/83/872104183.db2.gz NKKXNBMIMQHOAM-YADARESESA-N 2 1 381.564 3.950 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000850487506 876962290 /nfs/dbraw/zinc/96/22/90/876962290.db2.gz HLWYBWDLXZAPLQ-BVSLBCMMSA-N 2 1 379.548 3.774 20 10 GHCDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000850565148 877030903 /nfs/dbraw/zinc/03/09/03/877030903.db2.gz BKUDNDHNWIZNNY-SFHVURJKSA-N 2 1 390.531 3.993 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850567478 877034953 /nfs/dbraw/zinc/03/49/53/877034953.db2.gz CXBIABSSHDDDAL-REWPJTCUSA-N 2 1 393.575 3.648 20 10 GHCDMP Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1O ZINC000808693152 886647777 /nfs/dbraw/zinc/64/77/77/886647777.db2.gz XUCOOZZAXNHULI-LAUBAEHRSA-N 2 1 387.955 3.993 20 10 GHCDMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000163414194 887182678 /nfs/dbraw/zinc/18/26/78/887182678.db2.gz ARXXHNAXIFHCGQ-UHFFFAOYSA-N 2 1 385.474 3.504 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000774962541 914226381 /nfs/dbraw/zinc/22/63/81/914226381.db2.gz MKJUUXDOLPQNEW-INIZCTEOSA-N 2 1 399.491 3.973 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000774962541 914226387 /nfs/dbraw/zinc/22/63/87/914226387.db2.gz MKJUUXDOLPQNEW-INIZCTEOSA-N 2 1 399.491 3.973 20 10 GHCDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(Cl)c(C)cc3O)CC2)oc1C ZINC000825222722 900033536 /nfs/dbraw/zinc/03/35/36/900033536.db2.gz LZYNVTSLRLGDGU-UHFFFAOYSA-N 2 1 377.916 3.961 20 10 GHCDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000844912061 901520363 /nfs/dbraw/zinc/52/03/63/901520363.db2.gz REVSVIUDZRAGFQ-JCTONOIOSA-N 2 1 396.531 3.832 20 10 GHCDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000246828467 910687454 /nfs/dbraw/zinc/68/74/54/910687454.db2.gz BOESIPCADQTKOW-RTBURBONSA-N 2 1 377.548 3.825 20 10 GHCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000284462361 911876673 /nfs/dbraw/zinc/87/66/73/911876673.db2.gz VCKLUIWCIZWAQR-INIZCTEOSA-N 2 1 398.503 3.503 20 10 GHCDMP CCN(Cc1ccccc1)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827698847 925930848 /nfs/dbraw/zinc/93/08/48/925930848.db2.gz BXYUSQIBHCPEBR-VWLOTQADSA-N 2 1 393.575 3.744 20 10 GHCDMP CCN(Cc1ccccc1)c1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827698847 925930858 /nfs/dbraw/zinc/93/08/58/925930858.db2.gz BXYUSQIBHCPEBR-VWLOTQADSA-N 2 1 393.575 3.744 20 10 GHCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(OCc2ccccc2)cc1O ZINC000753549559 929409027 /nfs/dbraw/zinc/40/90/27/929409027.db2.gz SLHIPNBSFQTJDD-KIFXHHALSA-N 2 1 396.531 3.655 20 10 GHCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001116585393 933647674 /nfs/dbraw/zinc/64/76/74/933647674.db2.gz ZVJIACOHHOFXNL-HZEGPAAWSA-N 2 1 380.532 3.722 20 10 GHCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001116585393 933647679 /nfs/dbraw/zinc/64/76/79/933647679.db2.gz ZVJIACOHHOFXNL-HZEGPAAWSA-N 2 1 380.532 3.722 20 10 GHCDMP Cc1nc(C[NH+]2CCC(C[NH2+]C/C=C\c3ccc(N(C)C)cc3)CC2)oc1C ZINC000835036289 1021794772 /nfs/dbraw/zinc/79/47/72/1021794772.db2.gz JKSGTYQUZXKGMR-WAYWQWQTSA-N 2 1 382.552 3.872 20 10 GHCDMP CN(C)c1ccc(/C=C\C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000835047811 1021811398 /nfs/dbraw/zinc/81/13/98/1021811398.db2.gz KQEMFSJKODWMNI-RULWIFSWSA-N 2 1 379.548 3.512 20 10 GHCDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138216741 1024385042 /nfs/dbraw/zinc/38/50/42/1024385042.db2.gz JKDPPUOFQQTQDF-ZCYQVOJMSA-N 2 1 397.607 3.857 20 10 GHCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138216741 1024385050 /nfs/dbraw/zinc/38/50/50/1024385050.db2.gz JKDPPUOFQQTQDF-ZCYQVOJMSA-N 2 1 397.607 3.857 20 10 GHCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138216741 1024385070 /nfs/dbraw/zinc/38/50/70/1024385070.db2.gz JKDPPUOFQQTQDF-ZCYQVOJMSA-N 2 1 397.607 3.857 20 10 GHCDMP CC[N@@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001139253184 1026104411 /nfs/dbraw/zinc/10/44/11/1026104411.db2.gz PCOWTENJLCFGOZ-KRWDZBQOSA-N 2 1 386.536 3.924 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cccc(Br)c1 ZINC001139408245 1026280752 /nfs/dbraw/zinc/28/07/52/1026280752.db2.gz JTOVKGHXOCFVFN-UHFFFAOYSA-N 2 1 388.353 3.833 20 10 GHCDMP Cc1ccc(C)c(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c1O ZINC001140180315 1026952751 /nfs/dbraw/zinc/95/27/51/1026952751.db2.gz UZBMCDGTDZLHIL-UHFFFAOYSA-N 2 1 395.547 3.519 20 10 GHCDMP COc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(O)c1 ZINC001203622976 1027486196 /nfs/dbraw/zinc/48/61/96/1027486196.db2.gz HPCNHMHVQFNKOO-OAQYLSRUSA-N 2 1 396.531 3.656 20 10 GHCDMP Cc1cc(Br)cc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1O ZINC001222608742 1030231245 /nfs/dbraw/zinc/23/12/45/1030231245.db2.gz DETCJWZTBBCMBJ-GOSISDBHSA-N 2 1 387.321 3.652 20 10 GHCDMP Cc1cc(Br)cc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c1O ZINC001222608742 1030231257 /nfs/dbraw/zinc/23/12/57/1030231257.db2.gz DETCJWZTBBCMBJ-GOSISDBHSA-N 2 1 387.321 3.652 20 10 GHCDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CC1 ZINC001205582220 1033477879 /nfs/dbraw/zinc/47/78/79/1033477879.db2.gz XIWBKENGZBGUFK-GOSISDBHSA-N 2 1 381.289 3.961 20 10 GHCDMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231868897 1034955409 /nfs/dbraw/zinc/95/54/09/1034955409.db2.gz YUXXJIJLTPZNLX-RXVVDRJESA-N 2 1 378.944 3.534 20 10 GHCDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231868897 1034955413 /nfs/dbraw/zinc/95/54/13/1034955413.db2.gz YUXXJIJLTPZNLX-RXVVDRJESA-N 2 1 378.944 3.534 20 10 GHCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231868897 1034955418 /nfs/dbraw/zinc/95/54/18/1034955418.db2.gz YUXXJIJLTPZNLX-RXVVDRJESA-N 2 1 378.944 3.534 20 10 GHCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231868897 1034955420 /nfs/dbraw/zinc/95/54/20/1034955420.db2.gz YUXXJIJLTPZNLX-RXVVDRJESA-N 2 1 378.944 3.534 20 10 GHCDMP CC(C)(C)c1ccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c(O)c1 ZINC001235560010 1040988287 /nfs/dbraw/zinc/98/82/87/1040988287.db2.gz TZTQAZXSWZSSNV-UHFFFAOYSA-N 2 1 382.552 3.934 20 10 GHCDMP CC1(C)C=Cc2c(O)c(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)ccc2O1 ZINC001236009258 1041500084 /nfs/dbraw/zinc/50/00/84/1041500084.db2.gz CTLWOFUSJIYTBF-DVECYGJZSA-N 2 1 376.500 3.549 20 10 GHCDMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236238045 1041638359 /nfs/dbraw/zinc/63/83/59/1041638359.db2.gz XWNZCWZJZKUWOG-NNWRFLSQSA-N 2 1 399.579 3.571 20 10 GHCDMP COc1cc(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(O)c(OC)c1 ZINC001236385268 1041693630 /nfs/dbraw/zinc/69/36/30/1041693630.db2.gz ROURBBPETNSGCE-UHFFFAOYSA-N 2 1 388.483 3.550 20 10 GHCDMP COc1cc(Br)cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1O ZINC001236456913 1041720641 /nfs/dbraw/zinc/72/06/41/1041720641.db2.gz HYFOIXIQVBRGGZ-UHFFFAOYSA-N 2 1 385.346 3.763 20 10 GHCDMP COc1cc(O)c(C[N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236723737 1041857443 /nfs/dbraw/zinc/85/74/43/1041857443.db2.gz XMTOUPVKBLUVHW-WGSAOQKQSA-N 2 1 384.520 3.990 20 10 GHCDMP COC(=O)Cc1ccc(C[N@@H+](CC2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)c(O)c1 ZINC001236767565 1041880097 /nfs/dbraw/zinc/88/00/97/1041880097.db2.gz JSNPOXXYLYNRHV-MEMLXQNLSA-N 2 1 388.552 3.760 20 10 GHCDMP CCC(CC)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236791627 1041896776 /nfs/dbraw/zinc/89/67/76/1041896776.db2.gz WKRISYCHXRRDAZ-XUTJKUGGSA-N 2 1 390.591 3.838 20 10 GHCDMP CCC(CC)[N@H+](Cc1ccc(N2CCN(C)CC2)cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236791627 1041896780 /nfs/dbraw/zinc/89/67/80/1041896780.db2.gz WKRISYCHXRRDAZ-XUTJKUGGSA-N 2 1 390.591 3.838 20 10 GHCDMP CCC(CC)[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236791627 1041896787 /nfs/dbraw/zinc/89/67/87/1041896787.db2.gz WKRISYCHXRRDAZ-XUTJKUGGSA-N 2 1 390.591 3.838 20 10 GHCDMP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001237041492 1042002134 /nfs/dbraw/zinc/00/21/34/1042002134.db2.gz MFTHQAQRVFKWHZ-OFAXGOBFSA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001237041492 1042002144 /nfs/dbraw/zinc/00/21/44/1042002144.db2.gz MFTHQAQRVFKWHZ-OFAXGOBFSA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001237041492 1042002151 /nfs/dbraw/zinc/00/21/51/1042002151.db2.gz MFTHQAQRVFKWHZ-OFAXGOBFSA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001237041492 1042002159 /nfs/dbraw/zinc/00/21/59/1042002159.db2.gz MFTHQAQRVFKWHZ-OFAXGOBFSA-N 2 1 395.547 3.918 20 10 GHCDMP COc1ccc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(O)c1OC ZINC001308759017 1050084790 /nfs/dbraw/zinc/08/47/90/1050084790.db2.gz ABFYONVWIPIDHJ-QHCPKHFHSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)c1OC ZINC001308759017 1050084794 /nfs/dbraw/zinc/08/47/94/1050084794.db2.gz ABFYONVWIPIDHJ-QHCPKHFHSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)c1OC ZINC001308759017 1050084798 /nfs/dbraw/zinc/08/47/98/1050084798.db2.gz ABFYONVWIPIDHJ-QHCPKHFHSA-N 2 1 382.504 3.507 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](c4nc5ccccc5[nH]4)C3)cc2)CC1 ZINC001337239229 1052431299 /nfs/dbraw/zinc/43/12/99/1052431299.db2.gz NGWJKZXOSAZKOH-FQEVSTJZSA-N 2 1 389.547 3.694 20 10 GHCDMP CN1CCN(c2ccc(C[N@H+]3CCCO[C@@H](c4ccccc4)C3)cc2F)CC1 ZINC001319702748 1055410127 /nfs/dbraw/zinc/41/01/27/1055410127.db2.gz SHLZYNBGCVVLGN-HSZRJFAPSA-N 2 1 383.511 3.541 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCO[C@@H](c4ccccc4)C3)cc2F)CC1 ZINC001319702748 1055410142 /nfs/dbraw/zinc/41/01/42/1055410142.db2.gz SHLZYNBGCVVLGN-HSZRJFAPSA-N 2 1 383.511 3.541 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCc3ccccc3OC(F)F)cc2F)CC1 ZINC001320770838 1055955339 /nfs/dbraw/zinc/95/53/39/1055955339.db2.gz MMDJZLPNIRHOHJ-UHFFFAOYSA-N 2 1 393.453 3.511 20 10 GHCDMP Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)C2)cc1 ZINC001322089270 1056512698 /nfs/dbraw/zinc/51/26/98/1056512698.db2.gz MEJOJCNESVGWFT-NRFANRHFSA-N 2 1 396.554 3.645 20 10 GHCDMP CCc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1O ZINC000848914925 1057418434 /nfs/dbraw/zinc/41/84/34/1057418434.db2.gz VKXGUNMFGYOWMQ-QHCPKHFHSA-N 2 1 394.559 3.973 20 10 GHCDMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1(CC)CC ZINC001474029761 1074241257 /nfs/dbraw/zinc/24/12/57/1074241257.db2.gz YOIRZQKVLRFNAO-LEWJYISDSA-N 2 1 377.548 3.651 20 10 GHCDMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(O)c1C ZINC000273469156 847347273 /nfs/dbraw/zinc/34/72/73/847347273.db2.gz FHFQQTFHTFJSPX-NQIIRXRSSA-N 2 1 395.547 3.557 20 10 GHCDMP CCc1cccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1O ZINC000856557798 881407668 /nfs/dbraw/zinc/40/76/68/881407668.db2.gz BYOBWTGXELAEAL-JOCHJYFZSA-N 2 1 383.536 3.843 20 10 GHCDMP CCc1cccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1O ZINC000856557798 881407676 /nfs/dbraw/zinc/40/76/76/881407676.db2.gz BYOBWTGXELAEAL-JOCHJYFZSA-N 2 1 383.536 3.843 20 10 GHCDMP CCc1cccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1O ZINC000856557798 881407727 /nfs/dbraw/zinc/40/77/27/881407727.db2.gz BYOBWTGXELAEAL-JOCHJYFZSA-N 2 1 383.536 3.843 20 10 GHCDMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cc4oc5ccccc5c4cc3O)CC2)C1 ZINC000738210623 865502991 /nfs/dbraw/zinc/50/29/91/865502991.db2.gz CWZWHKZGBSHXQX-GOSISDBHSA-N 2 1 379.504 3.503 20 10 GHCDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775651298 872343874 /nfs/dbraw/zinc/34/38/74/872343874.db2.gz MFWRLXSREPXKPJ-UHFFFAOYSA-N 2 1 382.508 3.757 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@H](c4ccc(Cl)cc4)C3)cc2)CC1 ZINC000775650823 872347238 /nfs/dbraw/zinc/34/72/38/872347238.db2.gz WRTFIFYWCYLOEF-QFIPXVFZSA-N 2 1 385.939 3.665 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@H](c4ccc(Cl)cc4)C3)cc2)CC1 ZINC000775650823 872347254 /nfs/dbraw/zinc/34/72/54/872347254.db2.gz WRTFIFYWCYLOEF-QFIPXVFZSA-N 2 1 385.939 3.665 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3CC(=O)c3ccccc3)cc2)CC1 ZINC000775720995 873144033 /nfs/dbraw/zinc/14/40/33/873144033.db2.gz ROXFZTYMACAFDY-HSZRJFAPSA-N 2 1 377.532 3.676 20 10 GHCDMP C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000769528341 874135318 /nfs/dbraw/zinc/13/53/18/874135318.db2.gz VRIJLFZNJHHUGP-CVDCTZTESA-N 2 1 379.548 3.517 20 10 GHCDMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3c(O)ccc(Cl)c3F)cc2)CC1 ZINC000790623847 879892402 /nfs/dbraw/zinc/89/24/02/879892402.db2.gz VCBVLYQYVLJFDB-UHFFFAOYSA-N 2 1 378.875 3.948 20 10 GHCDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2)CC1 ZINC000809757013 887799358 /nfs/dbraw/zinc/79/93/58/887799358.db2.gz VSYHZDHWBQQFRB-HXUWFJFHSA-N 2 1 386.540 3.749 20 10 GHCDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cc(F)ccc3O)CC2)c1C ZINC000809764541 887804717 /nfs/dbraw/zinc/80/47/17/887804717.db2.gz IUWUDHLQXZQVPI-UHFFFAOYSA-N 2 1 387.499 3.648 20 10 GHCDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cc(F)ccc3O)CC2)c1C ZINC000809764541 887804725 /nfs/dbraw/zinc/80/47/25/887804725.db2.gz IUWUDHLQXZQVPI-UHFFFAOYSA-N 2 1 387.499 3.648 20 10 GHCDMP CCc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000763338029 888522733 /nfs/dbraw/zinc/52/27/33/888522733.db2.gz OLLGHNSOMRGCQY-XMSQKQJNSA-N 2 1 387.612 3.710 20 10 GHCDMP CCc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000763338025 888523082 /nfs/dbraw/zinc/52/30/82/888523082.db2.gz OLLGHNSOMRGCQY-PGRDOPGGSA-N 2 1 387.612 3.710 20 10 GHCDMP COc1ccc(N2CC[C@H](C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000818220046 896083780 /nfs/dbraw/zinc/08/37/80/896083780.db2.gz HYHSNWFOQAAQFY-OAQYLSRUSA-N 2 1 379.548 3.776 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778643622 897841989 /nfs/dbraw/zinc/84/19/89/897841989.db2.gz UUFBAFTWMAFLOK-NFBKMPQASA-N 2 1 379.548 3.523 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000774958668 914211551 /nfs/dbraw/zinc/21/15/51/914211551.db2.gz AQYUZJUBWKPYCM-MRXNPFEDSA-N 2 1 399.491 3.831 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000774958668 914211568 /nfs/dbraw/zinc/21/15/68/914211568.db2.gz AQYUZJUBWKPYCM-MRXNPFEDSA-N 2 1 399.491 3.831 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000844909390 901568669 /nfs/dbraw/zinc/56/86/69/901568669.db2.gz BCWQBWLRFYROOQ-IPELMVKDSA-N 2 1 385.474 3.632 20 10 GHCDMP COc1c(O)c(C[NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000775034379 914648396 /nfs/dbraw/zinc/64/83/96/914648396.db2.gz RFEAFVWWWBBRQI-WMZOPIPTSA-N 2 1 399.491 3.699 20 10 GHCDMP COc1c(O)c(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000775034379 914648403 /nfs/dbraw/zinc/64/84/03/914648403.db2.gz RFEAFVWWWBBRQI-WMZOPIPTSA-N 2 1 399.491 3.699 20 10 GHCDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](Cc3ccccc3O)CC1)CC2 ZINC001172903526 905926866 /nfs/dbraw/zinc/92/68/66/905926866.db2.gz HRQCXWMXHDALEM-HXUWFJFHSA-N 2 1 395.503 3.802 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccccc3)[C@H]3CCCO3)cc2F)CC1 ZINC001177506960 908606930 /nfs/dbraw/zinc/60/69/30/908606930.db2.gz XFVARWZEUPNCKB-DHIUTWEWSA-N 2 1 383.511 3.587 20 10 GHCDMP COc1cc(O)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1OC ZINC000827620618 925842379 /nfs/dbraw/zinc/84/23/79/925842379.db2.gz HIWZRSRQBUTISB-FQEVSTJZSA-N 2 1 396.531 3.801 20 10 GHCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000751146477 928049512 /nfs/dbraw/zinc/04/95/12/928049512.db2.gz HMKMMVSXFRPWFY-NFBKMPQASA-N 2 1 379.548 3.666 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c2ccccc21 ZINC001204240130 1032683361 /nfs/dbraw/zinc/68/33/61/1032683361.db2.gz ISJSOIBBZAKMHK-UHFFFAOYSA-N 2 1 381.564 3.981 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c2ccccc21 ZINC001204240130 1032683371 /nfs/dbraw/zinc/68/33/71/1032683371.db2.gz ISJSOIBBZAKMHK-UHFFFAOYSA-N 2 1 381.564 3.981 20 10 GHCDMP CN(C)c1ccc(CN2CCC([N@@H+](C)C3CCOCC3)CC2)c2ccccc21 ZINC001204240130 1032683354 /nfs/dbraw/zinc/68/33/54/1032683354.db2.gz ISJSOIBBZAKMHK-UHFFFAOYSA-N 2 1 381.564 3.981 20 10 GHCDMP Cc1c(O)ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001140746248 1022417502 /nfs/dbraw/zinc/41/75/02/1022417502.db2.gz XDYSTCPYGDXQMW-WMQCIHAUSA-N 2 1 381.520 3.534 20 10 GHCDMP Cc1c(O)ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001140746248 1022417509 /nfs/dbraw/zinc/41/75/09/1022417509.db2.gz XDYSTCPYGDXQMW-WMQCIHAUSA-N 2 1 381.520 3.534 20 10 GHCDMP Cc1c(O)ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001140746248 1022417518 /nfs/dbraw/zinc/41/75/18/1022417518.db2.gz XDYSTCPYGDXQMW-WMQCIHAUSA-N 2 1 381.520 3.534 20 10 GHCDMP Cc1c(O)ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001140746248 1022417524 /nfs/dbraw/zinc/41/75/24/1022417524.db2.gz XDYSTCPYGDXQMW-WMQCIHAUSA-N 2 1 381.520 3.534 20 10 GHCDMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(O)c(C)c2O)CC3)c1 ZINC001140748047 1022422256 /nfs/dbraw/zinc/42/22/56/1022422256.db2.gz DZJLKYZVIMGIEO-UHFFFAOYSA-N 2 1 396.531 3.903 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2CCc3c(CN(C)C)nn(C(C)C)c3C2)c(O)c1 ZINC001140853002 1022702875 /nfs/dbraw/zinc/70/28/75/1022702875.db2.gz ISKKOHQTYHZYFL-UHFFFAOYSA-N 2 1 399.583 3.636 20 10 GHCDMP CCN(CC)c1ccc(CN2CCc3c(CN(C)C)nn(C(C)C)c3C2)c(O)c1 ZINC001140853002 1022702888 /nfs/dbraw/zinc/70/28/88/1022702888.db2.gz ISKKOHQTYHZYFL-UHFFFAOYSA-N 2 1 399.583 3.636 20 10 GHCDMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC001140952573 1022981302 /nfs/dbraw/zinc/98/13/02/1022981302.db2.gz XSZAHHLIKWCJAQ-JOCHJYFZSA-N 2 1 395.547 3.599 20 10 GHCDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2c1c(F)ccc2O ZINC000756434728 1023647641 /nfs/dbraw/zinc/64/76/41/1023647641.db2.gz OZLTWCLBHSCIKH-JXFKEZNVSA-N 2 1 383.511 3.617 20 10 GHCDMP Cc1ccc(C)c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1O ZINC001140179512 1026952690 /nfs/dbraw/zinc/95/26/90/1026952690.db2.gz FVTVPVXNMWYAJY-NRFANRHFSA-N 2 1 395.547 3.660 20 10 GHCDMP COc1cc(O)c(CN2C[C@@H]3C[N@H+](Cc4ccc(C)cc4)C[C@@H]3C2)cc1Cl ZINC001232269059 1037992433 /nfs/dbraw/zinc/99/24/33/1037992433.db2.gz ZYVJOGUASFZIAQ-KDURUIRLSA-N 2 1 386.923 3.926 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(O)c1 ZINC001232842278 1038592774 /nfs/dbraw/zinc/59/27/74/1038592774.db2.gz UWIXZDHNIJRGNP-SFTDATJTSA-N 2 1 379.548 3.802 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c(O)c1 ZINC001232842278 1038592781 /nfs/dbraw/zinc/59/27/81/1038592781.db2.gz UWIXZDHNIJRGNP-SFTDATJTSA-N 2 1 379.548 3.802 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c(O)c1 ZINC001232842278 1038592791 /nfs/dbraw/zinc/59/27/91/1038592791.db2.gz UWIXZDHNIJRGNP-SFTDATJTSA-N 2 1 379.548 3.802 20 10 GHCDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252950409 1039293079 /nfs/dbraw/zinc/29/30/79/1039293079.db2.gz BDBHJHVCMHRGHM-ILBGXUMGSA-N 2 1 394.559 3.859 20 10 GHCDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950409 1039293086 /nfs/dbraw/zinc/29/30/86/1039293086.db2.gz BDBHJHVCMHRGHM-ILBGXUMGSA-N 2 1 394.559 3.859 20 10 GHCDMP Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235358514 1040839253 /nfs/dbraw/zinc/83/92/53/1040839253.db2.gz QPWNYHAWIGURDM-UYAOXDASSA-N 2 1 376.422 3.990 20 10 GHCDMP Oc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235358514 1040839268 /nfs/dbraw/zinc/83/92/68/1040839268.db2.gz QPWNYHAWIGURDM-UYAOXDASSA-N 2 1 376.422 3.990 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(O)c1 ZINC001235366658 1040859597 /nfs/dbraw/zinc/85/95/97/1040859597.db2.gz DWWYPLDDKMUAQQ-WIOPSUGQSA-N 2 1 393.575 3.992 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC001235383147 1040903320 /nfs/dbraw/zinc/90/33/20/1040903320.db2.gz NSSBIBDFSAOZQW-VGOFRKELSA-N 2 1 386.923 3.807 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC001235383147 1040903331 /nfs/dbraw/zinc/90/33/31/1040903331.db2.gz NSSBIBDFSAOZQW-VGOFRKELSA-N 2 1 386.923 3.807 20 10 GHCDMP COCCC[N@@H+](Cc1cc(OCc2ccccc2)ccc1O)C1CC[NH2+]CC1 ZINC001235939566 1041446358 /nfs/dbraw/zinc/44/63/58/1041446358.db2.gz FUZCQUHJCMCVLH-UHFFFAOYSA-N 2 1 384.520 3.562 20 10 GHCDMP Cc1cc(C[N@H+](Cc2ccccc2)Cc2ccc(N3CC[NH2+]CC3)cc2)on1 ZINC001236071178 1041521939 /nfs/dbraw/zinc/52/19/39/1041521939.db2.gz FBXLQFQDCNMYOB-UHFFFAOYSA-N 2 1 376.504 3.595 20 10 GHCDMP Cc1cc(C[N@@H+](Cc2ccccc2)Cc2ccc(N3CC[NH2+]CC3)cc2)on1 ZINC001236071178 1041521947 /nfs/dbraw/zinc/52/19/47/1041521947.db2.gz FBXLQFQDCNMYOB-UHFFFAOYSA-N 2 1 376.504 3.595 20 10 GHCDMP COc1cc(C[N@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)c(O)c(OC)c1 ZINC001236482578 1041735227 /nfs/dbraw/zinc/73/52/27/1041735227.db2.gz KDNSOVPONFSZSZ-UHFFFAOYSA-N 2 1 388.483 3.611 20 10 GHCDMP COc1cc(C[N@@H+](Cc2cc(C)cc(F)c2)C2CC[NH2+]CC2)c(O)c(OC)c1 ZINC001236482578 1041735232 /nfs/dbraw/zinc/73/52/32/1041735232.db2.gz KDNSOVPONFSZSZ-UHFFFAOYSA-N 2 1 388.483 3.611 20 10 GHCDMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(N3CCOCC3)cc2F)CC2CCC2)CC1 ZINC001236541772 1041756375 /nfs/dbraw/zinc/75/63/75/1041756375.db2.gz KKIJGOPXQYXGAY-MXVIHJGJSA-N 2 1 375.532 3.534 20 10 GHCDMP COc1cc(C[N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)c(O)c(OC)c1 ZINC001236725805 1041858429 /nfs/dbraw/zinc/85/84/29/1041858429.db2.gz CGUITEDMDNMGJZ-MXVIHJGJSA-N 2 1 384.520 3.990 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](OCc4ccccc4)C3)c(F)c2)CC1 ZINC001236941624 1041966221 /nfs/dbraw/zinc/96/62/21/1041966221.db2.gz DYUNFNXNZKVAES-HSZRJFAPSA-N 2 1 397.538 3.759 20 10 GHCDMP COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236943771 1041966306 /nfs/dbraw/zinc/96/63/06/1041966306.db2.gz VJNMWZGZKAIVCV-GOSISDBHSA-N 2 1 385.527 3.649 20 10 GHCDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237134859 1042056640 /nfs/dbraw/zinc/05/66/40/1042056640.db2.gz CDXXLMNXSAZCHB-ICSRJNTNSA-N 2 1 398.469 3.591 20 10 GHCDMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237134859 1042056642 /nfs/dbraw/zinc/05/66/42/1042056642.db2.gz CDXXLMNXSAZCHB-ICSRJNTNSA-N 2 1 398.469 3.591 20 10 GHCDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237134859 1042056645 /nfs/dbraw/zinc/05/66/45/1042056645.db2.gz CDXXLMNXSAZCHB-ICSRJNTNSA-N 2 1 398.469 3.591 20 10 GHCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237134859 1042056648 /nfs/dbraw/zinc/05/66/48/1042056648.db2.gz CDXXLMNXSAZCHB-ICSRJNTNSA-N 2 1 398.469 3.591 20 10 GHCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237134859 1042056650 /nfs/dbraw/zinc/05/66/50/1042056650.db2.gz CDXXLMNXSAZCHB-ICSRJNTNSA-N 2 1 398.469 3.591 20 10 GHCDMP C[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001237266170 1042114258 /nfs/dbraw/zinc/11/42/58/1042114258.db2.gz UWWCONZSIQNVST-UHFFFAOYSA-N 2 1 377.454 3.790 20 10 GHCDMP Cc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001238059525 1042478176 /nfs/dbraw/zinc/47/81/76/1042478176.db2.gz DFZFWBPVOMTBTB-BULFRSBZSA-N 2 1 383.511 3.967 20 10 GHCDMP Cc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001238059525 1042478177 /nfs/dbraw/zinc/47/81/77/1042478177.db2.gz DFZFWBPVOMTBTB-BULFRSBZSA-N 2 1 383.511 3.967 20 10 GHCDMP Cc1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001238059525 1042478178 /nfs/dbraw/zinc/47/81/78/1042478178.db2.gz DFZFWBPVOMTBTB-BULFRSBZSA-N 2 1 383.511 3.967 20 10 GHCDMP Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001238059525 1042478180 /nfs/dbraw/zinc/47/81/80/1042478180.db2.gz DFZFWBPVOMTBTB-BULFRSBZSA-N 2 1 383.511 3.967 20 10 GHCDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3ccc(N(C)C)cc3)cc2)C[C@H](C)O1 ZINC001473598908 1074040654 /nfs/dbraw/zinc/04/06/54/1074040654.db2.gz XPRNBIULKIBPLC-BGYRXZFFSA-N 2 1 381.564 3.994 20 10 GHCDMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3ccc(N(C)C)cc3)cc2)C[C@H](C)O1 ZINC001473598908 1074040670 /nfs/dbraw/zinc/04/06/70/1074040670.db2.gz XPRNBIULKIBPLC-BGYRXZFFSA-N 2 1 381.564 3.994 20 10 GHCDMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3ccc(N(C)C)cc3)cc2)C[C@H](C)O1 ZINC001473598908 1074040676 /nfs/dbraw/zinc/04/06/76/1074040676.db2.gz XPRNBIULKIBPLC-BGYRXZFFSA-N 2 1 381.564 3.994 20 10 GHCDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001474234040 1074302822 /nfs/dbraw/zinc/30/28/22/1074302822.db2.gz IQWYMUDGSZAEHA-UGKGYDQZSA-N 2 1 397.538 3.520 20 10 GHCDMP COc1ccc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c(O)c1OC ZINC000892380082 834536143 /nfs/dbraw/zinc/53/61/43/834536143.db2.gz MHMHDMGOTZZNLF-UHFFFAOYSA-N 2 1 399.535 3.800 20 10 GHCDMP COc1cc(O)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1OC ZINC000160424553 839058117 /nfs/dbraw/zinc/05/81/17/839058117.db2.gz OLJBIHUSYBXBRS-QGZVFWFLSA-N 2 1 376.541 3.886 20 10 GHCDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(O)c1OC ZINC000893020271 839952083 /nfs/dbraw/zinc/95/20/83/839952083.db2.gz PFHDCIQPGFMAPN-RDTXWAMCSA-N 2 1 376.522 3.644 20 10 GHCDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(O)c1OC ZINC000893020271 839952087 /nfs/dbraw/zinc/95/20/87/839952087.db2.gz PFHDCIQPGFMAPN-RDTXWAMCSA-N 2 1 376.522 3.644 20 10 GHCDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000766377397 870663368 /nfs/dbraw/zinc/66/33/68/870663368.db2.gz BNSSPOHKVBLRAJ-UHFFFAOYSA-N 2 1 392.584 3.966 20 10 GHCDMP CCCN(CCC)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000769523656 874130760 /nfs/dbraw/zinc/13/07/60/874130760.db2.gz CLVWGQUDNXIZLI-URXFXBBRSA-N 2 1 386.628 3.771 20 10 GHCDMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1)c1ccccc1 ZINC000771761357 875469160 /nfs/dbraw/zinc/46/91/60/875469160.db2.gz KRXVQCUSYNLCFW-QFIPXVFZSA-N 2 1 395.547 3.556 20 10 GHCDMP Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1O ZINC000762652163 886620614 /nfs/dbraw/zinc/62/06/14/886620614.db2.gz WDYRTGYHOZSPPI-LSDHHAIUSA-N 2 1 385.346 3.615 20 10 GHCDMP Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1O ZINC000762652163 886620631 /nfs/dbraw/zinc/62/06/31/886620631.db2.gz WDYRTGYHOZSPPI-LSDHHAIUSA-N 2 1 385.346 3.615 20 10 GHCDMP CCN(CC)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)cc1 ZINC000915680958 887315618 /nfs/dbraw/zinc/31/56/18/887315618.db2.gz VBAQAKQLEGUUQF-UHFFFAOYSA-N 2 1 394.607 3.960 20 10 GHCDMP CC[N@H+](CCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1)CC1CC1 ZINC000774943233 914121470 /nfs/dbraw/zinc/12/14/70/914121470.db2.gz YLWQGJLJRXEUJA-UHFFFAOYSA-N 2 1 391.512 3.643 20 10 GHCDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1)CC1CC1 ZINC000774943233 914121477 /nfs/dbraw/zinc/12/14/77/914121477.db2.gz YLWQGJLJRXEUJA-UHFFFAOYSA-N 2 1 391.512 3.643 20 10 GHCDMP COc1c(O)c(C[NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000775034374 914648313 /nfs/dbraw/zinc/64/83/13/914648313.db2.gz RFEAFVWWWBBRQI-FUHWJXTLSA-N 2 1 399.491 3.699 20 10 GHCDMP COc1c(O)c(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000775034374 914648319 /nfs/dbraw/zinc/64/83/19/914648319.db2.gz RFEAFVWWWBBRQI-FUHWJXTLSA-N 2 1 399.491 3.699 20 10 GHCDMP COc1c(O)c(C[NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000775034377 914648562 /nfs/dbraw/zinc/64/85/62/914648562.db2.gz RFEAFVWWWBBRQI-SJLPKXTDSA-N 2 1 399.491 3.699 20 10 GHCDMP COc1c(O)c(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000775034377 914648565 /nfs/dbraw/zinc/64/85/65/914648565.db2.gz RFEAFVWWWBBRQI-SJLPKXTDSA-N 2 1 399.491 3.699 20 10 GHCDMP Oc1ccc2c(ccc(O)c2C[N@H+]2CC[C@H](CF)C2)c1C[NH+]1CC[C@H](CF)C1 ZINC000902367599 922131054 /nfs/dbraw/zinc/13/10/54/922131054.db2.gz CNTVOQWQQLWDAM-HZPDHXFCSA-N 2 1 390.474 3.834 20 10 GHCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c2c1c(F)ccc2O ZINC000757640331 929755062 /nfs/dbraw/zinc/75/50/62/929755062.db2.gz RZUVCZJZOCVIEC-BPAFIMBUSA-N 2 1 384.495 3.826 20 10 GHCDMP CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000784671411 931973512 /nfs/dbraw/zinc/97/35/12/931973512.db2.gz SSDLQZCFTUYLNQ-XMMPIXPASA-N 2 1 381.564 3.602 20 10 GHCDMP CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000784671403 931973772 /nfs/dbraw/zinc/97/37/72/931973772.db2.gz SSDLQZCFTUYLNQ-DEOSSOPVSA-N 2 1 381.564 3.602 20 10 GHCDMP Cc1cc(C(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)n1-c1ccc(F)cn1 ZINC000829444193 935810209 /nfs/dbraw/zinc/81/02/09/935810209.db2.gz ZLQRIFQQNSDSTI-UHFFFAOYSA-N 2 1 398.526 3.619 20 10 GHCDMP Cc1cc(C(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(C)n1-c1ccc(F)cn1 ZINC000829444193 935810213 /nfs/dbraw/zinc/81/02/13/935810213.db2.gz ZLQRIFQQNSDSTI-UHFFFAOYSA-N 2 1 398.526 3.619 20 10 GHCDMP c1cn(-c2cc[nH+]c(N3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)c2)cn1 ZINC001155640351 1032616003 /nfs/dbraw/zinc/61/60/03/1032616003.db2.gz AGJIAUWGOFLUFG-KLJZETAQSA-N 2 1 375.520 3.667 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)Cc3ncccc3C(F)(F)F)cc2)CC1 ZINC001140302678 1021353005 /nfs/dbraw/zinc/35/30/05/1021353005.db2.gz XMPJGUYZCXREFW-UHFFFAOYSA-N 2 1 392.469 3.874 20 10 GHCDMP C[NH+]1CCN(c2ccc(CNc3nc(Cl)ccc3C[NH+]3CCCC3)cc2)CC1 ZINC001156658769 1033161649 /nfs/dbraw/zinc/16/16/49/1033161649.db2.gz ZQIMXSQCKKBUCU-UHFFFAOYSA-N 2 1 399.970 3.695 20 10 GHCDMP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1O)CC2 ZINC001138125693 1024169120 /nfs/dbraw/zinc/16/91/20/1024169120.db2.gz VOSSZOVHYSPMDK-KRWDZBQOSA-N 2 1 390.524 3.848 20 10 GHCDMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1O)CC2 ZINC001138125693 1024169124 /nfs/dbraw/zinc/16/91/24/1024169124.db2.gz VOSSZOVHYSPMDK-KRWDZBQOSA-N 2 1 390.524 3.848 20 10 GHCDMP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001203592082 1027457302 /nfs/dbraw/zinc/45/73/02/1027457302.db2.gz CBQPPFKJOYHRSN-YYWHXJBOSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001203592082 1027457308 /nfs/dbraw/zinc/45/73/08/1027457308.db2.gz CBQPPFKJOYHRSN-YYWHXJBOSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001203592082 1027457317 /nfs/dbraw/zinc/45/73/17/1027457317.db2.gz CBQPPFKJOYHRSN-YYWHXJBOSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001203592082 1027457329 /nfs/dbraw/zinc/45/73/29/1027457329.db2.gz CBQPPFKJOYHRSN-YYWHXJBOSA-N 2 1 381.520 3.528 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COC)C2)cc1 ZINC001203940444 1027736579 /nfs/dbraw/zinc/73/65/79/1027736579.db2.gz ZCYYRJAKEDLOAU-VWNXMTODSA-N 2 1 385.596 3.713 20 10 GHCDMP CN(C)c1ccc([C@@H]([NH3+])CNC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000841045264 1028067758 /nfs/dbraw/zinc/06/77/58/1028067758.db2.gz JPUASIZMSBDELW-QFIPXVFZSA-N 2 1 386.971 3.660 20 10 GHCDMP Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1C[C@H](c2ccccc2)C2(C[NH2+]C2)C1 ZINC001222614594 1030237937 /nfs/dbraw/zinc/23/79/37/1030237937.db2.gz HJLIDXBFAZETIP-GOSISDBHSA-N 2 1 392.421 3.522 20 10 GHCDMP Cc1cc(O)c(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1Br ZINC001222615350 1030240286 /nfs/dbraw/zinc/24/02/86/1030240286.db2.gz OKAVIQAYXFSTBM-QGZVFWFLSA-N 2 1 387.321 3.652 20 10 GHCDMP Cc1cc(O)c(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1Br ZINC001222615350 1030240302 /nfs/dbraw/zinc/24/03/02/1030240302.db2.gz OKAVIQAYXFSTBM-QGZVFWFLSA-N 2 1 387.321 3.652 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)c(O)c1 ZINC001232838826 1038589784 /nfs/dbraw/zinc/58/97/84/1038589784.db2.gz MMDGICGSECMAGS-JOCHJYFZSA-N 2 1 383.536 3.928 20 10 GHCDMP Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235087489 1040576470 /nfs/dbraw/zinc/57/64/70/1040576470.db2.gz HGZNUYNRCXBFKX-NRFANRHFSA-N 2 1 388.458 3.792 20 10 GHCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@@H](Oc3ccc(Cl)cc3)C1)C[NH2+]CCO2 ZINC001235973942 1041479301 /nfs/dbraw/zinc/47/93/01/1041479301.db2.gz QDELZQMMDICWTD-LJQANCHMSA-N 2 1 388.895 3.571 20 10 GHCDMP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236238044 1041639304 /nfs/dbraw/zinc/63/93/04/1041639304.db2.gz XWNZCWZJZKUWOG-HJNYFJLDSA-N 2 1 399.579 3.571 20 10 GHCDMP COc1ccc(Br)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1O ZINC001236375558 1041687651 /nfs/dbraw/zinc/68/76/51/1041687651.db2.gz KQEQVKJGLBONBQ-AWEZNQCLSA-N 2 1 397.357 3.908 20 10 GHCDMP Oc1cc(O)c(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1Cl ZINC001236384807 1041692620 /nfs/dbraw/zinc/69/26/20/1041692620.db2.gz DPYNMRAPCFAANM-UHFFFAOYSA-N 2 1 378.875 3.892 20 10 GHCDMP CCOCC[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C1CC[NH2+]CC1 ZINC001236460878 1041723231 /nfs/dbraw/zinc/72/32/31/1041723231.db2.gz HHWXVLJLUYWJMH-UHFFFAOYSA-N 2 1 384.520 3.562 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](OCc4ccccc4)C3)c(F)c2)CC1 ZINC001236941626 1041966024 /nfs/dbraw/zinc/96/60/24/1041966024.db2.gz DYUNFNXNZKVAES-QHCPKHFHSA-N 2 1 397.538 3.759 20 10 GHCDMP [O-]c1ccc(F)c(Cl)c1C[NH+]1CCC2(CC1)CN(Cc1ccoc1)CCO2 ZINC001237124319 1042051710 /nfs/dbraw/zinc/05/17/10/1042051710.db2.gz OCYDABRJQANMHU-UHFFFAOYSA-N 2 1 394.874 3.645 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCOc4ccc(F)cc43)cc2F)CC1 ZINC001323470628 1056974532 /nfs/dbraw/zinc/97/45/32/1056974532.db2.gz GARULKDZTVTAHO-HXUWFJFHSA-N 2 1 387.474 3.720 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCc3c[nH]c4ccc(F)cc34)cc2F)CC1 ZINC001339669401 1059380214 /nfs/dbraw/zinc/38/02/14/1059380214.db2.gz FEDSEGHUVHUYKD-UHFFFAOYSA-N 2 1 384.474 3.530 20 10 GHCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC001474020748 1074238367 /nfs/dbraw/zinc/23/83/67/1074238367.db2.gz PVQWZRNSDXNUBJ-UPVQGACJSA-N 2 1 381.564 3.505 20 10 GHCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC001474020748 1074238370 /nfs/dbraw/zinc/23/83/70/1074238370.db2.gz PVQWZRNSDXNUBJ-UPVQGACJSA-N 2 1 381.564 3.505 20 10 GHCDMP COc1cc(C)c(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(O)c1 ZINC001474642413 1074495534 /nfs/dbraw/zinc/49/55/34/1074495534.db2.gz NWRBDHXPSOLOFJ-HXUWFJFHSA-N 2 1 399.535 3.598 20 10 GHCDMP COc1cc(C)c(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c(O)c1 ZINC001474642413 1074495540 /nfs/dbraw/zinc/49/55/40/1074495540.db2.gz NWRBDHXPSOLOFJ-HXUWFJFHSA-N 2 1 399.535 3.598 20 10 GHCDMP COc1cc(C)c(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c(O)c1 ZINC001474642413 1074495546 /nfs/dbraw/zinc/49/55/46/1074495546.db2.gz NWRBDHXPSOLOFJ-HXUWFJFHSA-N 2 1 399.535 3.598 20 10 GHCDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCCCC2)cc1 ZINC000766139860 857406072 /nfs/dbraw/zinc/40/60/72/857406072.db2.gz XJSFQDSOJDZGSA-PXDATVDWSA-N 2 1 393.575 3.965 20 10 GHCDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCCCC2)cc1 ZINC000766139860 857406083 /nfs/dbraw/zinc/40/60/83/857406083.db2.gz XJSFQDSOJDZGSA-PXDATVDWSA-N 2 1 393.575 3.965 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2)CC1 ZINC000775651492 872383412 /nfs/dbraw/zinc/38/34/12/872383412.db2.gz OVGIUNDJGSPXKG-UHFFFAOYSA-N 2 1 380.492 3.511 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCCC[C@H]3C[C@@H](O)c3ccco3)cc2)CC1 ZINC000775738167 873321731 /nfs/dbraw/zinc/32/17/31/873321731.db2.gz USNQXUSQEUMLJG-XZOQPEGZSA-N 2 1 397.563 3.900 20 10 GHCDMP CCCN(CCC)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000769523658 874130584 /nfs/dbraw/zinc/13/05/84/874130584.db2.gz CLVWGQUDNXIZLI-ZJSXRUAMSA-N 2 1 386.628 3.771 20 10 GHCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000850406557 876888549 /nfs/dbraw/zinc/88/85/49/876888549.db2.gz LFRXAXXABNYTBI-OFNKIYASSA-N 2 1 393.575 3.790 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)C2)cc1 ZINC000850488097 876963956 /nfs/dbraw/zinc/96/39/56/876963956.db2.gz LBKRLGMBCFUSIP-PTLVVNQVSA-N 2 1 379.548 3.774 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)C2)cc1 ZINC000850488097 876963964 /nfs/dbraw/zinc/96/39/64/876963964.db2.gz LBKRLGMBCFUSIP-PTLVVNQVSA-N 2 1 379.548 3.774 20 10 GHCDMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000787333628 877323063 /nfs/dbraw/zinc/32/30/63/877323063.db2.gz WUEUJJCNUAADIE-JOCHJYFZSA-N 2 1 387.955 3.911 20 10 GHCDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000815561031 894000854 /nfs/dbraw/zinc/00/08/54/894000854.db2.gz WJHCCNKWWBEOMN-HXUWFJFHSA-N 2 1 381.564 3.997 20 10 GHCDMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1O ZINC000815646712 894093072 /nfs/dbraw/zinc/09/30/72/894093072.db2.gz QEAQSOJKLFXGRH-TZIWHRDSSA-N 2 1 380.532 3.972 20 10 GHCDMP Cc1cc(Br)cc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1O ZINC000817940375 895969191 /nfs/dbraw/zinc/96/91/91/895969191.db2.gz MEBZQDRAZKGGMJ-AWEZNQCLSA-N 2 1 378.314 3.689 20 10 GHCDMP Cc1ccc(-c2nc(C[NH2+]Cc3ccc(N4CC[NH+](C)CC4)cc3)co2)cc1 ZINC000883283894 897443595 /nfs/dbraw/zinc/44/35/95/897443595.db2.gz XINSVUJQTNCITI-UHFFFAOYSA-N 2 1 376.504 3.692 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCO[C@@H](c4cccs4)C3)cc2F)CC1 ZINC001202699238 899379493 /nfs/dbraw/zinc/37/94/93/899379493.db2.gz LSPPZWQYWDGISP-YLJYHZDGSA-N 2 1 389.540 3.649 20 10 GHCDMP Oc1cc(Br)ccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000825216184 900031449 /nfs/dbraw/zinc/03/14/49/900031449.db2.gz ZISTYXCEPBDYOC-QGZVFWFLSA-N 2 1 389.337 3.809 20 10 GHCDMP C[C@H]1C[C@H](NC2CC[NH+](Cc3ccccc3O)CC2)C[N@H+]1Cc1ccccc1 ZINC001171733100 904961204 /nfs/dbraw/zinc/96/12/04/904961204.db2.gz IIXOFNKPTUAZOX-CVDCTZTESA-N 2 1 379.548 3.609 20 10 GHCDMP COc1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c(O)c1OC ZINC001180224938 910023192 /nfs/dbraw/zinc/02/31/92/910023192.db2.gz LGOUBZNYRXJZEE-QGZVFWFLSA-N 2 1 376.541 3.886 20 10 GHCDMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000246867437 910716184 /nfs/dbraw/zinc/71/61/84/910716184.db2.gz DFVFBRUIHSDSET-RBUKOAKNSA-N 2 1 377.548 3.968 20 10 GHCDMP Oc1ccc2c(ccc(O)c2C[N@H+]2CC[C@@H](CF)C2)c1C[NH+]1CC[C@H](CF)C1 ZINC000902367600 922130908 /nfs/dbraw/zinc/13/09/08/922130908.db2.gz CNTVOQWQQLWDAM-IYBDPMFKSA-N 2 1 390.474 3.834 20 10 GHCDMP Oc1ccc2c(ccc(O)c2C[N@@H+]2CC[C@H](CF)C2)c1C[NH+]1CC[C@@H](CF)C1 ZINC000902367600 922130926 /nfs/dbraw/zinc/13/09/26/922130926.db2.gz CNTVOQWQQLWDAM-IYBDPMFKSA-N 2 1 390.474 3.834 20 10 GHCDMP Oc1ccc2c(ccc(O)c2C[N@H+]2CC[C@H](CF)C2)c1C[NH+]1CC[C@@H](CF)C1 ZINC000902367600 922130932 /nfs/dbraw/zinc/13/09/32/922130932.db2.gz CNTVOQWQQLWDAM-IYBDPMFKSA-N 2 1 390.474 3.834 20 10 GHCDMP Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925677187 931873669 /nfs/dbraw/zinc/87/36/69/931873669.db2.gz OQUYJXJMWKBOJB-NRFANRHFSA-N 2 1 380.536 3.682 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC([C@H](O)c4ccccc4)CC3)cc2F)CC1 ZINC001116436805 933557779 /nfs/dbraw/zinc/55/77/79/933557779.db2.gz HRWUSRPPJVMURU-XMMPIXPASA-N 2 1 397.538 3.523 20 10 GHCDMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc2ccccc2c1O ZINC000756606171 1023734762 /nfs/dbraw/zinc/73/47/62/1023734762.db2.gz WDGXDMOPCPZYSB-MHECFPHRSA-N 2 1 376.500 3.833 20 10 GHCDMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc2ccccc2c1O ZINC000756606171 1023734766 /nfs/dbraw/zinc/73/47/66/1023734766.db2.gz WDGXDMOPCPZYSB-MHECFPHRSA-N 2 1 376.500 3.833 20 10 GHCDMP c1nc2n(c1C[NH+]1CCCC1)CC[N@H+](Cc1ccc(N3CCCCC3)cc1)CC2 ZINC001138216734 1024385945 /nfs/dbraw/zinc/38/59/45/1024385945.db2.gz JDRJMBGJTVSGFD-UHFFFAOYSA-N 2 1 393.579 3.528 20 10 GHCDMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138339535 1024700525 /nfs/dbraw/zinc/70/05/25/1024700525.db2.gz HEHLRCZNRSNPLN-LEWJYISDSA-N 2 1 383.580 3.930 20 10 GHCDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138339535 1024700539 /nfs/dbraw/zinc/70/05/39/1024700539.db2.gz HEHLRCZNRSNPLN-LEWJYISDSA-N 2 1 383.580 3.930 20 10 GHCDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138339535 1024700543 /nfs/dbraw/zinc/70/05/43/1024700543.db2.gz HEHLRCZNRSNPLN-LEWJYISDSA-N 2 1 383.580 3.930 20 10 GHCDMP Fc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc(F)c1N1CCOCC1 ZINC000839146589 1025642398 /nfs/dbraw/zinc/64/23/98/1025642398.db2.gz NADSIIRXRAHFFL-UHFFFAOYSA-N 2 1 393.522 3.688 20 10 GHCDMP Cc1ccc(C)c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c1O ZINC001140181356 1026954446 /nfs/dbraw/zinc/95/44/46/1026954446.db2.gz TUBVRYLWXYPXSI-GIWBLDEGSA-N 2 1 394.563 3.581 20 10 GHCDMP Cc1ccc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c1O ZINC001140181356 1026954449 /nfs/dbraw/zinc/95/44/49/1026954449.db2.gz TUBVRYLWXYPXSI-GIWBLDEGSA-N 2 1 394.563 3.581 20 10 GHCDMP Cc1ccc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c1O ZINC001140181356 1026954453 /nfs/dbraw/zinc/95/44/53/1026954453.db2.gz TUBVRYLWXYPXSI-GIWBLDEGSA-N 2 1 394.563 3.581 20 10 GHCDMP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c(O)c1 ZINC001203630375 1027489796 /nfs/dbraw/zinc/48/97/96/1027489796.db2.gz RDUXQHFPQKCUAS-UHFFFAOYSA-N 2 1 396.531 3.576 20 10 GHCDMP Cc1cccc(N2CCC[N@@H+](Cc3cc(Br)ccc3O)CC2)n1 ZINC001203645416 1027502003 /nfs/dbraw/zinc/50/20/03/1027502003.db2.gz HTHNIAUTFNGWJS-UHFFFAOYSA-N 2 1 376.298 3.570 20 10 GHCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC001208935164 1035100308 /nfs/dbraw/zinc/10/03/08/1035100308.db2.gz IRLJKCXNQUSMQI-DEOSSOPVSA-N 2 1 393.575 3.867 20 10 GHCDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208935164 1035100315 /nfs/dbraw/zinc/10/03/15/1035100315.db2.gz IRLJKCXNQUSMQI-DEOSSOPVSA-N 2 1 393.575 3.867 20 10 GHCDMP C[NH+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208935164 1035100322 /nfs/dbraw/zinc/10/03/22/1035100322.db2.gz IRLJKCXNQUSMQI-DEOSSOPVSA-N 2 1 393.575 3.867 20 10 GHCDMP CN1CCCc2cc(C[N@H+]3CC[C@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)ccc21 ZINC001235360406 1040844325 /nfs/dbraw/zinc/84/43/25/1040844325.db2.gz BVMXBWXDECSMTA-NOZRDPDXSA-N 2 1 375.560 3.822 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(O)c1 ZINC001235380316 1040901078 /nfs/dbraw/zinc/90/10/78/1040901078.db2.gz OAIPRFIWBCMFDM-VWNXMTODSA-N 2 1 379.548 3.818 20 10 GHCDMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C(C)(C)C)cc3O)CC2)C1 ZINC001235680112 1041144749 /nfs/dbraw/zinc/14/47/49/1041144749.db2.gz IDGQHGAQYRYDPW-SFHVURJKSA-N 2 1 388.552 3.539 20 10 GHCDMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C(C)(C)C)cc3O)CC2)C1 ZINC001235680112 1041144786 /nfs/dbraw/zinc/14/47/86/1041144786.db2.gz IDGQHGAQYRYDPW-SFHVURJKSA-N 2 1 388.552 3.539 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCN[C@@H](c4ccc(Cl)cc4)C3)cc2)CC1 ZINC001235792815 1041287652 /nfs/dbraw/zinc/28/76/52/1041287652.db2.gz OIDRPEXDHRWBGR-HSZRJFAPSA-N 2 1 398.982 3.628 20 10 GHCDMP CC[NH+]1CCN(c2ccc(CN3CC[NH2+][C@@H](c4ccc(Cl)cc4)C3)cc2)CC1 ZINC001235792815 1041287664 /nfs/dbraw/zinc/28/76/64/1041287664.db2.gz OIDRPEXDHRWBGR-HSZRJFAPSA-N 2 1 398.982 3.628 20 10 GHCDMP Oc1ccc(Br)cc1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235975920 1041482447 /nfs/dbraw/zinc/48/24/47/1041482447.db2.gz YRYJZFMMJRULAB-UHFFFAOYSA-N 2 1 387.321 3.792 20 10 GHCDMP FC(F)(F)c1ccc2c(c1)CC[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236086737 1041527549 /nfs/dbraw/zinc/52/75/49/1041527549.db2.gz RLSACNPBWDZGJU-UHFFFAOYSA-N 2 1 375.438 3.673 20 10 GHCDMP COc1cc(C[N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)c(O)c(OC)c1 ZINC001236561239 1041763458 /nfs/dbraw/zinc/76/34/58/1041763458.db2.gz PFQAAEITBLEOCZ-MXVIHJGJSA-N 2 1 384.520 3.990 20 10 GHCDMP CCOc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c(O)c1 ZINC001237041840 1042001524 /nfs/dbraw/zinc/00/15/24/1042001524.db2.gz VXKJJKSWBMHCJG-UHFFFAOYSA-N 2 1 396.531 3.658 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4Nc5ccc(Cl)cc5[C@H]4C3)cc2)CC1 ZINC001237229591 1042097430 /nfs/dbraw/zinc/09/74/30/1042097430.db2.gz DGNBPXCZCXKVOF-FYYLOGMGSA-N 2 1 396.966 3.875 20 10 GHCDMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4c(C)cccc4O)CC3)C2)cc1 ZINC001237488984 1042232300 /nfs/dbraw/zinc/23/23/00/1042232300.db2.gz SZIGWXZDJUTLQL-UHFFFAOYSA-N 2 1 380.532 3.876 20 10 GHCDMP CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC001319762772 1055452815 /nfs/dbraw/zinc/45/28/15/1055452815.db2.gz HZBQCJBNJMQAES-FQEVSTJZSA-N 2 1 380.580 3.741 20 10 GHCDMP COCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H](C)c1ccccc1 ZINC001324724950 1057212831 /nfs/dbraw/zinc/21/28/31/1057212831.db2.gz JNRREVVLHRBENO-LJQANCHMSA-N 2 1 385.527 3.787 20 10 GHCDMP COCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H](C)c1ccccc1 ZINC001324724950 1057212835 /nfs/dbraw/zinc/21/28/35/1057212835.db2.gz JNRREVVLHRBENO-LJQANCHMSA-N 2 1 385.527 3.787 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCN(c4ccccc4)C3)cc2F)CC1 ZINC001324876224 1057239764 /nfs/dbraw/zinc/23/97/64/1057239764.db2.gz CNVXYPXQBZLILY-NRFANRHFSA-N 2 1 396.554 3.584 20 10 GHCDMP Cc1cccc2[nH]cc(CC[NH2+]Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)c21 ZINC001327212671 1057622955 /nfs/dbraw/zinc/62/29/55/1057622955.db2.gz IFFMVTOJNFOOJI-UHFFFAOYSA-N 2 1 380.511 3.700 20 10 GHCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001337786772 1058262117 /nfs/dbraw/zinc/26/21/17/1058262117.db2.gz YCUQNSJERBXYMQ-KURKYZTESA-N 2 1 385.577 3.889 20 10 GHCDMP COc1ccc(C(C)(C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1F ZINC001351619406 1064534745 /nfs/dbraw/zinc/53/47/45/1064534745.db2.gz MDJGBLQPFBHZII-UHFFFAOYSA-N 2 1 389.490 3.750 20 10 GHCDMP CCCC(=O)Nc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001473936384 1074211301 /nfs/dbraw/zinc/21/13/01/1074211301.db2.gz SXDHRWVHSPTBCH-UHFFFAOYSA-N 2 1 398.526 3.606 20 10 GHCDMP CCOc1ccc(C[C@@H](C)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001474170290 1074282163 /nfs/dbraw/zinc/28/21/63/1074282163.db2.gz PVJCNDUOVHCFOD-LJQANCHMSA-N 2 1 399.554 3.945 20 10 GHCDMP Cc1cc(O)c(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c(Cl)c1 ZINC001474515449 1074443693 /nfs/dbraw/zinc/44/36/93/1074443693.db2.gz UHXZFHVFDHLMNN-FQEVSTJZSA-N 2 1 399.966 3.746 20 10 GHCDMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)c(O)c1OC ZINC000892580530 836741469 /nfs/dbraw/zinc/74/14/69/836741469.db2.gz LTCRASULUYPQJQ-KRWDZBQOSA-N 2 1 384.520 3.931 20 10 GHCDMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(O)c1C ZINC000273469154 847347165 /nfs/dbraw/zinc/34/71/65/847347165.db2.gz FHFQQTFHTFJSPX-GHTZIAJQSA-N 2 1 395.547 3.557 20 10 GHCDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001143140946 859373796 /nfs/dbraw/zinc/37/37/96/859373796.db2.gz XXVYROOKYGDYCN-HSZRJFAPSA-N 2 1 396.579 3.582 20 10 GHCDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001143140947 859374944 /nfs/dbraw/zinc/37/49/44/859374944.db2.gz XXVYROOKYGDYCN-QHCPKHFHSA-N 2 1 396.579 3.582 20 10 GHCDMP COc1cc(C)cc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1O ZINC001183046614 912214174 /nfs/dbraw/zinc/21/41/74/912214174.db2.gz XWXJQGYMAJEUKE-NRFANRHFSA-N 2 1 399.535 3.598 20 10 GHCDMP COc1cc(C)cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1O ZINC001183046614 912214204 /nfs/dbraw/zinc/21/42/04/912214204.db2.gz XWXJQGYMAJEUKE-NRFANRHFSA-N 2 1 399.535 3.598 20 10 GHCDMP COc1cc(C)cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1O ZINC001183046614 912214219 /nfs/dbraw/zinc/21/42/19/912214219.db2.gz XWXJQGYMAJEUKE-NRFANRHFSA-N 2 1 399.535 3.598 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)cc2)CC1 ZINC000775650410 872320474 /nfs/dbraw/zinc/32/04/74/872320474.db2.gz ZUKWXXDCOYGDBG-HXUWFJFHSA-N 2 1 390.531 3.959 20 10 GHCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000775715132 873094713 /nfs/dbraw/zinc/09/47/13/873094713.db2.gz CLKTXAQGTKIOEA-JPYJTQIMSA-N 2 1 383.511 3.540 20 10 GHCDMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000769528343 874136836 /nfs/dbraw/zinc/13/68/36/874136836.db2.gz VRIJLFZNJHHUGP-XXBNENTESA-N 2 1 379.548 3.517 20 10 GHCDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3c(C)cc(C)cc3O)cc2)CC1 ZINC000788538521 878132971 /nfs/dbraw/zinc/13/29/71/878132971.db2.gz GKAWGVRDKPBQMS-FQEVSTJZSA-N 2 1 381.564 3.997 20 10 GHCDMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccc(N5CCOCC5)cc4)C3)C2)cc1 ZINC000809704079 887723622 /nfs/dbraw/zinc/72/36/22/887723622.db2.gz UXIMLEUPCBQYLT-VWLOTQADSA-N 2 1 391.559 3.621 20 10 GHCDMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccc(N5CCOCC5)cc4)C3)C2)cc1 ZINC000809704079 887723633 /nfs/dbraw/zinc/72/36/33/887723633.db2.gz UXIMLEUPCBQYLT-VWLOTQADSA-N 2 1 391.559 3.621 20 10 GHCDMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccc(N5CCOCC5)cc4)C3)C2)cc1 ZINC000809704079 887723646 /nfs/dbraw/zinc/72/36/46/887723646.db2.gz UXIMLEUPCBQYLT-VWLOTQADSA-N 2 1 391.559 3.621 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3csc(-c4ccsc4)n3)cc2)CC1 ZINC000883283663 897444345 /nfs/dbraw/zinc/44/43/45/897444345.db2.gz NOAYTBFWRQKDFL-UHFFFAOYSA-N 2 1 384.574 3.913 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000775016112 914536541 /nfs/dbraw/zinc/53/65/41/914536541.db2.gz OGILDNXBGVRZDW-UHFFFAOYSA-N 2 1 399.491 3.975 20 10 GHCDMP CC(C)(C)OC(=O)C1CCC([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC001171917371 905148184 /nfs/dbraw/zinc/14/81/84/905148184.db2.gz VCSLVNVHAMPCHI-UHFFFAOYSA-N 2 1 388.552 3.847 20 10 GHCDMP Oc1cc(O)c(CC[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1O ZINC001172066196 905332006 /nfs/dbraw/zinc/33/20/06/905332006.db2.gz UTDMYHWOLYEXKG-ACDBMABISA-N 2 1 382.504 3.521 20 10 GHCDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001179339004 909497602 /nfs/dbraw/zinc/49/76/02/909497602.db2.gz QEBAQTRJNARJAC-NZQKXSOJSA-N 2 1 393.575 3.505 20 10 GHCDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1)CC(C)C ZINC001181514556 910814429 /nfs/dbraw/zinc/81/44/29/910814429.db2.gz KIHZADJZJZBZJC-UHFFFAOYSA-N 2 1 378.557 3.989 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000757997516 929883018 /nfs/dbraw/zinc/88/30/18/929883018.db2.gz OPGMURCKENOYQK-DNQXCXABSA-N 2 1 397.538 3.930 20 10 GHCDMP CN(C)c1ccc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)cc1 ZINC001204144926 1032600659 /nfs/dbraw/zinc/60/06/59/1032600659.db2.gz LBRUWBSBYMZYRR-UHFFFAOYSA-N 2 1 391.462 3.768 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CCCc3cccc(OC)c3)cc2)CC1 ZINC001140306528 1021363979 /nfs/dbraw/zinc/36/39/79/1021363979.db2.gz SUTRMUSAOHMYRV-UHFFFAOYSA-N 2 1 381.564 3.902 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](c4cccc(OC)c4)C3)cc2)CC1 ZINC001140309747 1021369648 /nfs/dbraw/zinc/36/96/48/1021369648.db2.gz SODHINKWQWBKHO-QFIPXVFZSA-N 2 1 379.548 3.827 20 10 GHCDMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(O)c(C)c4O)CC3)C2)cc1 ZINC001140747921 1022422210 /nfs/dbraw/zinc/42/22/10/1022422210.db2.gz DEKXUXXTICQYCA-UHFFFAOYSA-N 2 1 396.531 3.582 20 10 GHCDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc(C)c(C)c3O)cc2)CC1 ZINC000756432947 1023646775 /nfs/dbraw/zinc/64/67/75/1023646775.db2.gz LKMIPSWZWHJAEP-HXUWFJFHSA-N 2 1 381.564 3.997 20 10 GHCDMP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1O)CC2 ZINC001138125694 1024169010 /nfs/dbraw/zinc/16/90/10/1024169010.db2.gz VOSSZOVHYSPMDK-QGZVFWFLSA-N 2 1 390.524 3.848 20 10 GHCDMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1O)CC2 ZINC001138125694 1024169026 /nfs/dbraw/zinc/16/90/26/1024169026.db2.gz VOSSZOVHYSPMDK-QGZVFWFLSA-N 2 1 390.524 3.848 20 10 GHCDMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001138216645 1024384430 /nfs/dbraw/zinc/38/44/30/1024384430.db2.gz FONRGKWWBPMFFI-DEOSSOPVSA-N 2 1 385.596 4.000 20 10 GHCDMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001138216645 1024384446 /nfs/dbraw/zinc/38/44/46/1024384446.db2.gz FONRGKWWBPMFFI-DEOSSOPVSA-N 2 1 385.596 4.000 20 10 GHCDMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001138216645 1024384459 /nfs/dbraw/zinc/38/44/59/1024384459.db2.gz FONRGKWWBPMFFI-DEOSSOPVSA-N 2 1 385.596 4.000 20 10 GHCDMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001138216645 1024384473 /nfs/dbraw/zinc/38/44/73/1024384473.db2.gz FONRGKWWBPMFFI-DEOSSOPVSA-N 2 1 385.596 4.000 20 10 GHCDMP Cc1c(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccoc2)CCO3)c2ccccc2n1C ZINC001138254495 1024477549 /nfs/dbraw/zinc/47/75/49/1024477549.db2.gz ZFUGQTBAJDJFDJ-UHFFFAOYSA-N 2 1 393.531 3.947 20 10 GHCDMP Cc1c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccoc2)CCO3)c2ccccc2n1C ZINC001138254495 1024477559 /nfs/dbraw/zinc/47/75/59/1024477559.db2.gz ZFUGQTBAJDJFDJ-UHFFFAOYSA-N 2 1 393.531 3.947 20 10 GHCDMP COc1cc(C[N@@H+](C)CCc2cccc(C(F)(F)F)n2)cc(C[NH+](C)C)c1O ZINC001139253602 1026104280 /nfs/dbraw/zinc/10/42/80/1026104280.db2.gz ZZDFYTDPKZINSM-UHFFFAOYSA-N 2 1 397.441 3.551 20 10 GHCDMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc(C)c4O)CC3)C2)cc1 ZINC001231592263 1034745514 /nfs/dbraw/zinc/74/55/14/1034745514.db2.gz GHEFBSABBWSJPE-UHFFFAOYSA-N 2 1 380.532 3.876 20 10 GHCDMP c1c(C[NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)[nH]c2cc[nH+]cc12 ZINC001232018106 1035047267 /nfs/dbraw/zinc/04/72/67/1035047267.db2.gz DSWYCUNLDMZVLS-UHFFFAOYSA-N 2 1 399.498 3.859 20 10 GHCDMP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC001246793620 1037633592 /nfs/dbraw/zinc/63/35/92/1037633592.db2.gz VATMWGCPGKOTGC-LADGPHEKSA-N 2 1 397.538 3.896 20 10 GHCDMP Cc1cc(F)ccc1[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC001246793620 1037633602 /nfs/dbraw/zinc/63/36/02/1037633602.db2.gz VATMWGCPGKOTGC-LADGPHEKSA-N 2 1 397.538 3.896 20 10 GHCDMP C[N@@H+](CCC=C1c2ccccc2CCc2ccccc21)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246880214 1037694485 /nfs/dbraw/zinc/69/44/85/1037694485.db2.gz RQWXMLYPYSXGQV-QFIPXVFZSA-N 2 1 387.571 3.633 20 10 GHCDMP CN1CCC[C@@H]2C[N@@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@@H]21 ZINC001233195704 1038961503 /nfs/dbraw/zinc/96/15/03/1038961503.db2.gz ONHPKYQGPKSDJU-KDOFPFPSSA-N 2 1 375.310 3.834 20 10 GHCDMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C(C)(C)C)ccc3O)CC2)C1 ZINC001233286882 1039066310 /nfs/dbraw/zinc/06/63/10/1039066310.db2.gz MTLBZJDNRCIEPW-KRWDZBQOSA-N 2 1 388.552 3.539 20 10 GHCDMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C(C)(C)C)ccc3O)CC2)C1 ZINC001233286882 1039066334 /nfs/dbraw/zinc/06/63/34/1039066334.db2.gz MTLBZJDNRCIEPW-KRWDZBQOSA-N 2 1 388.552 3.539 20 10 GHCDMP CCOC(=O)c1c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c2ccccc2n1C ZINC001235162869 1040655187 /nfs/dbraw/zinc/65/51/87/1040655187.db2.gz XOGJGVKENZSGRU-FQEVSTJZSA-N 2 1 383.536 3.709 20 10 GHCDMP Oc1cccc(Br)c1C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235352019 1040829808 /nfs/dbraw/zinc/82/98/08/1040829808.db2.gz ZYCDSQMOQDWCFC-YLJYHZDGSA-N 2 1 387.321 3.734 20 10 GHCDMP Oc1cccc(Br)c1C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235352019 1040829824 /nfs/dbraw/zinc/82/98/24/1040829824.db2.gz ZYCDSQMOQDWCFC-YLJYHZDGSA-N 2 1 387.321 3.734 20 10 GHCDMP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC001255382465 1040972992 /nfs/dbraw/zinc/97/29/92/1040972992.db2.gz UURYJEILQHRYGP-QHCPKHFHSA-N 2 1 379.548 3.668 20 10 GHCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@@]1(C)c1cccc(O)c1 ZINC001235866968 1041400508 /nfs/dbraw/zinc/40/05/08/1041400508.db2.gz LBDXWZPGIWIFSW-YADARESESA-N 2 1 379.548 3.602 20 10 GHCDMP COc1ccc(C[N@H+](Cc2cc(Cl)c(OC)cc2O)C2CC[NH2+]CC2)cc1 ZINC001236446776 1041716316 /nfs/dbraw/zinc/71/63/16/1041716316.db2.gz PIOMREUZSCSSLV-UHFFFAOYSA-N 2 1 390.911 3.817 20 10 GHCDMP COc1ccc(C[N@@H+](Cc2cc(Cl)c(OC)cc2O)C2CC[NH2+]CC2)cc1 ZINC001236446776 1041716322 /nfs/dbraw/zinc/71/63/22/1041716322.db2.gz PIOMREUZSCSSLV-UHFFFAOYSA-N 2 1 390.911 3.817 20 10 GHCDMP COc1ccc(C[N@H+](Cc2cc(F)c(F)cc2O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545718 1041758432 /nfs/dbraw/zinc/75/84/32/1041758432.db2.gz QRMRDABLPKPZNP-QAQDUYKDSA-N 2 1 376.447 3.951 20 10 GHCDMP COc1ccc(C[N@@H+](Cc2cc(F)c(F)cc2O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545718 1041758438 /nfs/dbraw/zinc/75/84/38/1041758438.db2.gz QRMRDABLPKPZNP-QAQDUYKDSA-N 2 1 376.447 3.951 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)c(F)c2)CC1 ZINC001236574881 1041766975 /nfs/dbraw/zinc/76/69/75/1041766975.db2.gz WOXKERAPRLPFRB-XUTJKUGGSA-N 3 1 388.575 3.592 20 10 GHCDMP CN1CCN(c2ccc(C[N@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)c(F)c2)CC1 ZINC001236574881 1041766978 /nfs/dbraw/zinc/76/69/78/1041766978.db2.gz WOXKERAPRLPFRB-XUTJKUGGSA-N 2 1 388.575 3.592 20 10 GHCDMP CN1CCN(c2ccc(C[N@@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)c(F)c2)CC1 ZINC001236574881 1041766983 /nfs/dbraw/zinc/76/69/83/1041766983.db2.gz WOXKERAPRLPFRB-XUTJKUGGSA-N 2 1 388.575 3.592 20 10 GHCDMP COc1cc(C)c(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(O)c1 ZINC001236808952 1041909752 /nfs/dbraw/zinc/90/97/52/1041909752.db2.gz ONTUYNQEYQCQQR-UHFFFAOYSA-N 2 1 395.547 3.981 20 10 GHCDMP COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2F)c1 ZINC001236943076 1041966107 /nfs/dbraw/zinc/96/61/07/1041966107.db2.gz PQHATDVPYUUOTP-QHCPKHFHSA-N 2 1 383.511 3.923 20 10 GHCDMP Cc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001238059531 1042478245 /nfs/dbraw/zinc/47/82/45/1042478245.db2.gz DFZFWBPVOMTBTB-HSQYWUDLSA-N 2 1 383.511 3.967 20 10 GHCDMP Cc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001238059531 1042478248 /nfs/dbraw/zinc/47/82/48/1042478248.db2.gz DFZFWBPVOMTBTB-HSQYWUDLSA-N 2 1 383.511 3.967 20 10 GHCDMP Cc1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001238059531 1042478251 /nfs/dbraw/zinc/47/82/51/1042478251.db2.gz DFZFWBPVOMTBTB-HSQYWUDLSA-N 2 1 383.511 3.967 20 10 GHCDMP Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001238059531 1042478260 /nfs/dbraw/zinc/47/82/60/1042478260.db2.gz DFZFWBPVOMTBTB-HSQYWUDLSA-N 2 1 383.511 3.967 20 10 GHCDMP COc1ccc2c(c1)c1c(n2C)CC[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001256861471 1043707876 /nfs/dbraw/zinc/70/78/76/1043707876.db2.gz PQWCWNMDXVLDCC-UHFFFAOYSA-N 2 1 376.504 3.609 20 10 GHCDMP CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001320510850 1055852073 /nfs/dbraw/zinc/85/20/73/1055852073.db2.gz ZUMMEEZMAZNCHY-BWAGFHJFSA-N 2 1 389.559 3.603 20 10 GHCDMP CCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001320510850 1055852091 /nfs/dbraw/zinc/85/20/91/1055852091.db2.gz ZUMMEEZMAZNCHY-BWAGFHJFSA-N 2 1 389.559 3.603 20 10 GHCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC001474020746 1074238012 /nfs/dbraw/zinc/23/80/12/1074238012.db2.gz PVQWZRNSDXNUBJ-ISKFKSNPSA-N 2 1 381.564 3.505 20 10 GHCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC001474020746 1074238020 /nfs/dbraw/zinc/23/80/20/1074238020.db2.gz PVQWZRNSDXNUBJ-ISKFKSNPSA-N 2 1 381.564 3.505 20 10 GHCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000766124381 857320447 /nfs/dbraw/zinc/32/04/47/857320447.db2.gz WYXWJZBAVANNHC-NGYIFUPDSA-N 2 1 381.564 3.676 20 10 GHCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000766124381 857320454 /nfs/dbraw/zinc/32/04/54/857320454.db2.gz WYXWJZBAVANNHC-NGYIFUPDSA-N 2 1 381.564 3.676 20 10 GHCDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000738169103 865500331 /nfs/dbraw/zinc/50/03/31/865500331.db2.gz FHPCLCZHMLGMTP-SFHVURJKSA-N 2 1 397.563 3.619 20 10 GHCDMP CCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000775668139 872567913 /nfs/dbraw/zinc/56/79/13/872567913.db2.gz RQOLCRMZROIWMM-HXUWFJFHSA-N 2 1 394.563 3.678 20 10 GHCDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(F)c(N(C)C)cc3F)CC2)oc1C ZINC000858134006 882869937 /nfs/dbraw/zinc/86/99/37/882869937.db2.gz GDZMFOGDGYWRBI-UHFFFAOYSA-N 2 1 392.494 3.637 20 10 GHCDMP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001201490945 875718805 /nfs/dbraw/zinc/71/88/05/875718805.db2.gz GFGCGFXORGOBQQ-HXUWFJFHSA-N 2 1 386.471 3.727 20 10 GHCDMP CCN(CC)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCN(CC)CC2)cc1 ZINC000915680706 887315498 /nfs/dbraw/zinc/31/54/98/887315498.db2.gz ASPDDBISHBKSHE-UHFFFAOYSA-N 2 1 394.607 3.960 20 10 GHCDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1c1cccs1 ZINC000877055568 893459980 /nfs/dbraw/zinc/45/99/80/893459980.db2.gz UGMPJTZAOFHVLQ-AUSIDOKSSA-N 2 1 399.604 3.882 20 10 GHCDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1c1cccs1 ZINC000877055568 893459988 /nfs/dbraw/zinc/45/99/88/893459988.db2.gz UGMPJTZAOFHVLQ-AUSIDOKSSA-N 2 1 399.604 3.882 20 10 GHCDMP Cc1cccc(O)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000877552072 893683839 /nfs/dbraw/zinc/68/38/39/893683839.db2.gz PRRHHXAHMRYWCM-NRFANRHFSA-N 2 1 380.532 3.719 20 10 GHCDMP CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000817939193 895969038 /nfs/dbraw/zinc/96/90/38/895969038.db2.gz AHTVCKFXLQGHPE-XGAJZPNHSA-N 2 1 378.564 3.538 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccccc3)c3ccc(F)cn3)cc2)CC1 ZINC000883289999 897454398 /nfs/dbraw/zinc/45/43/98/897454398.db2.gz HTNYZUVGSPXYBP-XMMPIXPASA-N 2 1 390.506 3.852 20 10 GHCDMP CN(Cc1cccs1)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000823442242 899028650 /nfs/dbraw/zinc/02/86/50/899028650.db2.gz FOAFPQHMYNCCAG-JOCHJYFZSA-N 2 1 398.620 3.596 20 10 GHCDMP CN(Cc1cccs1)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000823442242 899028667 /nfs/dbraw/zinc/02/86/67/899028667.db2.gz FOAFPQHMYNCCAG-JOCHJYFZSA-N 2 1 398.620 3.596 20 10 GHCDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccc(OC)c3O)CC2)cs1 ZINC000846143309 902750315 /nfs/dbraw/zinc/75/03/15/902750315.db2.gz DTDWFJWSMWRTIW-HNNXBMFYSA-N 2 1 389.565 3.983 20 10 GHCDMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1O ZINC000186127557 907881895 /nfs/dbraw/zinc/88/18/95/907881895.db2.gz HUEMPHHAWNGZQF-XWIAVFTESA-N 2 1 397.357 3.573 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccccc3)C3CCOCC3)cc2F)CC1 ZINC001177860383 908780363 /nfs/dbraw/zinc/78/03/63/908780363.db2.gz WGUHDNYATOQKNU-DEOSSOPVSA-N 2 1 397.538 3.835 20 10 GHCDMP Cc1cc(Br)c(O)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000781914046 931026786 /nfs/dbraw/zinc/02/67/86/931026786.db2.gz XIEDXOSHCGTLQT-UHFFFAOYSA-N 2 1 397.357 3.540 20 10 GHCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC001116585395 933647944 /nfs/dbraw/zinc/64/79/44/933647944.db2.gz ZVJIACOHHOFXNL-PMXSJFBMSA-N 2 1 380.532 3.722 20 10 GHCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC001116585395 933647946 /nfs/dbraw/zinc/64/79/46/933647946.db2.gz ZVJIACOHHOFXNL-PMXSJFBMSA-N 2 1 380.532 3.722 20 10 GHCDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000800894283 1021346832 /nfs/dbraw/zinc/34/68/32/1021346832.db2.gz PVUURNHWJNMZRZ-DEOSSOPVSA-N 2 1 393.575 3.914 20 10 GHCDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000800894283 1021346849 /nfs/dbraw/zinc/34/68/49/1021346849.db2.gz PVUURNHWJNMZRZ-DEOSSOPVSA-N 2 1 393.575 3.914 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4[C@@H](C3)CCC[C@@H]4OCC3CC3)cc2)CC1 ZINC001140304934 1021358836 /nfs/dbraw/zinc/35/88/36/1021358836.db2.gz HRAXTSWVPWRMGE-VJTSUQJLSA-N 2 1 397.607 3.856 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)Cc3ccc(-n4ccnc4)cc3)cc2)CC1 ZINC001140309813 1021370124 /nfs/dbraw/zinc/37/01/24/1021370124.db2.gz VKYUUFUVBLIQKK-UHFFFAOYSA-N 2 1 389.547 3.646 20 10 GHCDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138338661 1024701540 /nfs/dbraw/zinc/70/15/40/1024701540.db2.gz OCEQJUHJJJBUJQ-UHFFFAOYSA-N 2 1 392.547 3.533 20 10 GHCDMP COc1cc(C[N@@H+](C)Cc2cccc(Br)c2)cc(C[NH+](C)C)c1O ZINC001139256151 1026106643 /nfs/dbraw/zinc/10/66/43/1026106643.db2.gz VFCGDRYJBODTMS-UHFFFAOYSA-N 2 1 393.325 3.857 20 10 GHCDMP COc1cc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC001461235737 1069455352 /nfs/dbraw/zinc/45/53/52/1069455352.db2.gz ZGBPZNGKEDVHOL-CALCHBBNSA-N 2 1 378.557 3.677 20 10 GHCDMP COc1ccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c(O)c1 ZINC001222576108 1030207867 /nfs/dbraw/zinc/20/78/67/1030207867.db2.gz QEQSJLJSOABWST-OAQYLSRUSA-N 2 1 396.531 3.704 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H](c4ccc(F)cc4F)C3)cc2F)CC1 ZINC001461785125 1069745721 /nfs/dbraw/zinc/74/57/21/1069745721.db2.gz DCYOLSUXKHDZAU-SAABIXHNSA-N 2 1 389.465 3.892 20 10 GHCDMP COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001231855574 1034945999 /nfs/dbraw/zinc/94/59/99/1034945999.db2.gz WEGAPANTQGMGJG-XMMPIXPASA-N 2 1 379.548 3.859 20 10 GHCDMP COc1cc(N(C)C)ccc1C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001231855574 1034946002 /nfs/dbraw/zinc/94/60/02/1034946002.db2.gz WEGAPANTQGMGJG-XMMPIXPASA-N 2 1 379.548 3.859 20 10 GHCDMP COc1cc(N(C)C)ccc1C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC001231855574 1034946008 /nfs/dbraw/zinc/94/60/08/1034946008.db2.gz WEGAPANTQGMGJG-XMMPIXPASA-N 2 1 379.548 3.859 20 10 GHCDMP COc1cc(N(C)C)ccc1C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001231855574 1034946010 /nfs/dbraw/zinc/94/60/10/1034946010.db2.gz WEGAPANTQGMGJG-XMMPIXPASA-N 2 1 379.548 3.859 20 10 GHCDMP C[C@H]1CC([NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)C[C@H](C)[NH2+]1 ZINC001246998167 1037822279 /nfs/dbraw/zinc/82/22/79/1037822279.db2.gz AYGJZQOCQAOJQC-PMACEKPBSA-N 2 1 379.548 3.917 20 10 GHCDMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cc(C(C)(C)C)ccc3O)CC2)C1 ZINC001233286883 1039064856 /nfs/dbraw/zinc/06/48/56/1039064856.db2.gz MTLBZJDNRCIEPW-QGZVFWFLSA-N 2 1 388.552 3.539 20 10 GHCDMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cc(C(C)(C)C)ccc3O)CC2)C1 ZINC001233286883 1039064883 /nfs/dbraw/zinc/06/48/83/1039064883.db2.gz MTLBZJDNRCIEPW-QGZVFWFLSA-N 2 1 388.552 3.539 20 10 GHCDMP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1c(O)ccc(F)c1F)CC2 ZINC001233333542 1039135829 /nfs/dbraw/zinc/13/58/29/1039135829.db2.gz ZESJKPZRJDRGEC-UHFFFAOYSA-N 2 1 387.474 3.942 20 10 GHCDMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1c(O)ccc(F)c1F)CC2 ZINC001233333542 1039135846 /nfs/dbraw/zinc/13/58/46/1039135846.db2.gz ZESJKPZRJDRGEC-UHFFFAOYSA-N 2 1 387.474 3.942 20 10 GHCDMP CC[NH+]1CCN(c2ccc(OC3CCN(c4cc(C)cc[nH+]4)CC3)cc2)CC1 ZINC001234662063 1040197224 /nfs/dbraw/zinc/19/72/24/1040197224.db2.gz YQCRHLKJOIVCFY-UHFFFAOYSA-N 2 1 380.536 3.580 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c(Br)c1 ZINC001235156230 1040648158 /nfs/dbraw/zinc/64/81/58/1040648158.db2.gz NGXTVEBKQQCNJO-QGZVFWFLSA-N 2 1 383.330 3.517 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c(Br)c1 ZINC001235156217 1040649059 /nfs/dbraw/zinc/64/90/59/1040649059.db2.gz NGXTVEBKQQCNJO-KRWDZBQOSA-N 2 1 383.330 3.517 20 10 GHCDMP CC[N@@H+](Cc1ccccc1)C1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001235713362 1041196362 /nfs/dbraw/zinc/19/63/62/1041196362.db2.gz XWJXCEZILUVNMW-UHFFFAOYSA-N 2 1 392.591 3.583 20 10 GHCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CCc2ccc(Cl)cc21 ZINC001236085240 1041525889 /nfs/dbraw/zinc/52/58/89/1041525889.db2.gz LTYAUZBKBZBYJY-INIZCTEOSA-N 2 1 385.939 3.617 20 10 GHCDMP COc1ccc(C[N@H+](Cc2ccc(N(C)C)c(C)c2)C2CC[NH2+]CC2)cc1F ZINC001236516780 1041749721 /nfs/dbraw/zinc/74/97/21/1041749721.db2.gz RJDKXFDVQRHELT-UHFFFAOYSA-N 2 1 385.527 3.963 20 10 GHCDMP COc1ccc(C[N@@H+](Cc2ccc(N(C)C)c(C)c2)C2CC[NH2+]CC2)cc1F ZINC001236516780 1041749728 /nfs/dbraw/zinc/74/97/28/1041749728.db2.gz RJDKXFDVQRHELT-UHFFFAOYSA-N 2 1 385.527 3.963 20 10 GHCDMP CCc1ccc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c(O)c1 ZINC001236788112 1041894783 /nfs/dbraw/zinc/89/47/83/1041894783.db2.gz RAHDMZJMQRZATP-VJBWXMMDSA-N 2 1 394.563 3.526 20 10 GHCDMP CCc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c(O)c1 ZINC001236788112 1041894792 /nfs/dbraw/zinc/89/47/92/1041894792.db2.gz RAHDMZJMQRZATP-VJBWXMMDSA-N 2 1 394.563 3.526 20 10 GHCDMP CCc1ccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c(O)c1 ZINC001236788112 1041894798 /nfs/dbraw/zinc/89/47/98/1041894798.db2.gz RAHDMZJMQRZATP-VJBWXMMDSA-N 2 1 394.563 3.526 20 10 GHCDMP COc1cc(C)c(C[NH+]2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)c(O)c1 ZINC001236807002 1041907886 /nfs/dbraw/zinc/90/78/86/1041907886.db2.gz BKBSFQHHCOXORG-UHFFFAOYSA-N 2 1 399.535 3.945 20 10 GHCDMP COc1cc(C)c(C[NH+]2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)c(O)c1 ZINC001236807002 1041907889 /nfs/dbraw/zinc/90/78/89/1041907889.db2.gz BKBSFQHHCOXORG-UHFFFAOYSA-N 2 1 399.535 3.945 20 10 GHCDMP COc1cccc([C@H]2CCC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)c1 ZINC001236941456 1041965940 /nfs/dbraw/zinc/96/59/40/1041965940.db2.gz AKQRTRNHDNTAKG-FQEVSTJZSA-N 2 1 397.538 3.966 20 10 GHCDMP COc1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(O)c(OC)c1 ZINC001237677446 1042318151 /nfs/dbraw/zinc/31/81/51/1042318151.db2.gz NGYKUHMXXYGZAY-WOJBJXKFSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(O)c(OC)c1 ZINC001237677446 1042318160 /nfs/dbraw/zinc/31/81/60/1042318160.db2.gz NGYKUHMXXYGZAY-WOJBJXKFSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(O)c(OC)c1 ZINC001237677446 1042318167 /nfs/dbraw/zinc/31/81/67/1042318167.db2.gz NGYKUHMXXYGZAY-WOJBJXKFSA-N 2 1 396.531 3.753 20 10 GHCDMP Cc1cc(Cl)cc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)c1O ZINC001237679839 1042320353 /nfs/dbraw/zinc/32/03/53/1042320353.db2.gz LUTMSLPGGZVNDI-WIYYLYMNSA-N 2 1 378.944 3.534 20 10 GHCDMP Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1O ZINC001237679839 1042320358 /nfs/dbraw/zinc/32/03/58/1042320358.db2.gz LUTMSLPGGZVNDI-WIYYLYMNSA-N 2 1 378.944 3.534 20 10 GHCDMP Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)c1O ZINC001237679839 1042320363 /nfs/dbraw/zinc/32/03/63/1042320363.db2.gz LUTMSLPGGZVNDI-WIYYLYMNSA-N 2 1 378.944 3.534 20 10 GHCDMP Oc1ccc2ccc(O)c(C[N@H+]3CC[C@H](CF)C3)c2c1C[NH+]1CC[C@H](CF)C1 ZINC001262053108 1046169324 /nfs/dbraw/zinc/16/93/24/1046169324.db2.gz PUROEUQPDZBGNZ-HZPDHXFCSA-N 2 1 390.474 3.834 20 10 GHCDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(N4CCCC4)cc3)C2)ccn1 ZINC001328524913 1050535769 /nfs/dbraw/zinc/53/57/69/1050535769.db2.gz HQNQGLSKLVKALZ-DEOSSOPVSA-N 2 1 394.563 3.787 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)ccn1 ZINC001328524913 1050535788 /nfs/dbraw/zinc/53/57/88/1050535788.db2.gz HQNQGLSKLVKALZ-DEOSSOPVSA-N 2 1 394.563 3.787 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)ccn1 ZINC001328524913 1050535801 /nfs/dbraw/zinc/53/58/01/1050535801.db2.gz HQNQGLSKLVKALZ-DEOSSOPVSA-N 2 1 394.563 3.787 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(-c4cnco4)cc3)cc2F)CC1 ZINC001336326543 1052258398 /nfs/dbraw/zinc/25/83/98/1052258398.db2.gz XBJSXUQRTRTOMF-UHFFFAOYSA-N 2 1 380.467 3.522 20 10 GHCDMP C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323281758 1056948341 /nfs/dbraw/zinc/94/83/41/1056948341.db2.gz KRBIMHXMBUBLLE-UHFFFAOYSA-N 2 1 393.453 3.811 20 10 GHCDMP C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323281758 1056948343 /nfs/dbraw/zinc/94/83/43/1056948343.db2.gz KRBIMHXMBUBLLE-UHFFFAOYSA-N 2 1 393.453 3.811 20 10 GHCDMP COc1cc(Br)cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1O ZINC000848529670 1057152756 /nfs/dbraw/zinc/15/27/56/1057152756.db2.gz PRTCVPUFQGGFDP-GFCCVEGCSA-N 2 1 382.302 3.799 20 10 GHCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001337786773 1058262648 /nfs/dbraw/zinc/26/26/48/1058262648.db2.gz YCUQNSJERBXYMQ-KZNAEPCWSA-N 2 1 385.577 3.889 20 10 GHCDMP Cc1ccc(CSCC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001473909233 1074200156 /nfs/dbraw/zinc/20/01/56/1074200156.db2.gz LXSLLPXPAYZYHM-UHFFFAOYSA-N 2 1 387.568 3.909 20 10 GHCDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCCCC2)cc1 ZINC000766139858 857406129 /nfs/dbraw/zinc/40/61/29/857406129.db2.gz XJSFQDSOJDZGSA-BWKNWUBXSA-N 2 1 393.575 3.965 20 10 GHCDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCCCC2)cc1 ZINC000766139858 857406136 /nfs/dbraw/zinc/40/61/36/857406136.db2.gz XJSFQDSOJDZGSA-BWKNWUBXSA-N 2 1 393.575 3.965 20 10 GHCDMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCCO1 ZINC000763663644 864164649 /nfs/dbraw/zinc/16/46/49/864164649.db2.gz WVLQIBQNVZLGAO-IBGZPJMESA-N 2 1 384.520 3.562 20 10 GHCDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCCO1 ZINC000763663644 864164659 /nfs/dbraw/zinc/16/46/59/864164659.db2.gz WVLQIBQNVZLGAO-IBGZPJMESA-N 2 1 384.520 3.562 20 10 GHCDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000184894335 865021180 /nfs/dbraw/zinc/02/11/80/865021180.db2.gz PNBQGPKUZIMPLF-SFHVURJKSA-N 2 1 380.532 3.954 20 10 GHCDMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000182234877 872062971 /nfs/dbraw/zinc/06/29/71/872062971.db2.gz HJSUUNHPNCMOJI-DNQXCXABSA-N 2 1 381.564 3.950 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@H](c4ccc(Cl)cc4)C3)cc2)CC1 ZINC000775650821 872346988 /nfs/dbraw/zinc/34/69/88/872346988.db2.gz WRTFIFYWCYLOEF-JOCHJYFZSA-N 2 1 385.939 3.665 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@H](c4ccc(Cl)cc4)C3)cc2)CC1 ZINC000775650821 872347004 /nfs/dbraw/zinc/34/70/04/872347004.db2.gz WRTFIFYWCYLOEF-JOCHJYFZSA-N 2 1 385.939 3.665 20 10 GHCDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664742 872489164 /nfs/dbraw/zinc/48/91/64/872489164.db2.gz PJYULYDVNFDGDI-FYYLOGMGSA-N 2 1 384.612 3.525 20 10 GHCDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664742 872489171 /nfs/dbraw/zinc/48/91/71/872489171.db2.gz PJYULYDVNFDGDI-FYYLOGMGSA-N 3 1 384.612 3.525 20 10 GHCDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664742 872489178 /nfs/dbraw/zinc/48/91/78/872489178.db2.gz PJYULYDVNFDGDI-FYYLOGMGSA-N 3 1 384.612 3.525 20 10 GHCDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664742 872489183 /nfs/dbraw/zinc/48/91/83/872489183.db2.gz PJYULYDVNFDGDI-FYYLOGMGSA-N 3 1 384.612 3.525 20 10 GHCDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664742 872489189 /nfs/dbraw/zinc/48/91/89/872489189.db2.gz PJYULYDVNFDGDI-FYYLOGMGSA-N 3 1 384.612 3.525 20 10 GHCDMP Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)CO1 ZINC000775713627 873057064 /nfs/dbraw/zinc/05/70/64/873057064.db2.gz KRTYQFYCVYGKPA-GBXCKJPGSA-N 2 1 379.548 3.709 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C[C@H](O)c3cccs3)cc2)CC1 ZINC000775736869 873289330 /nfs/dbraw/zinc/28/93/30/873289330.db2.gz YOPOLBCTLHHCLY-RTWAWAEBSA-N 2 1 385.577 3.588 20 10 GHCDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769193096 873847812 /nfs/dbraw/zinc/84/78/12/873847812.db2.gz ZIDFJYMNZSTAID-FGZHOGPDSA-N 2 1 384.612 3.667 20 10 GHCDMP c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000776492879 877184888 /nfs/dbraw/zinc/18/48/88/877184888.db2.gz XSOBWOPXPGYNSJ-UHFFFAOYSA-N 2 1 396.604 3.844 20 10 GHCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000746645940 877198598 /nfs/dbraw/zinc/19/85/98/877198598.db2.gz FWFBRQHEWNTGOX-YBOAYWMSSA-N 2 1 384.520 3.701 20 10 GHCDMP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1O ZINC000853241014 878924688 /nfs/dbraw/zinc/92/46/88/878924688.db2.gz RRQAHCBZIRJTJQ-UKRRQHHQSA-N 2 1 397.357 3.936 20 10 GHCDMP COC1CCN(c2ccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)CC1 ZINC000294977661 917078077 /nfs/dbraw/zinc/07/80/77/917078077.db2.gz OTZUUUKBIBIVOG-YKSBVNFPSA-N 2 1 383.580 3.751 20 10 GHCDMP COC1CCN(c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)CC1 ZINC000294977661 917078085 /nfs/dbraw/zinc/07/80/85/917078085.db2.gz OTZUUUKBIBIVOG-YKSBVNFPSA-N 2 1 383.580 3.751 20 10 GHCDMP COC1CCN(c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2)CC1 ZINC000294977661 917078094 /nfs/dbraw/zinc/07/80/94/917078094.db2.gz OTZUUUKBIBIVOG-YKSBVNFPSA-N 2 1 383.580 3.751 20 10 GHCDMP Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925677189 931873638 /nfs/dbraw/zinc/87/36/38/931873638.db2.gz OQUYJXJMWKBOJB-OAQYLSRUSA-N 2 1 380.536 3.682 20 10 GHCDMP CC(C)c1ccccc1OCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116032104 933295471 /nfs/dbraw/zinc/29/54/71/933295471.db2.gz IKOUKNXJUJCSIA-UHFFFAOYSA-N 2 1 385.527 3.870 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](Oc4ccc(F)cc4)C3)cc2)CC1 ZINC001140304304 1021354906 /nfs/dbraw/zinc/35/49/06/1021354906.db2.gz MPLQLDKREBOVBD-QHCPKHFHSA-N 2 1 383.511 3.621 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](c4ccc(OC)cc4)C3)cc2)CC1 ZINC001140305704 1021361562 /nfs/dbraw/zinc/36/15/62/1021361562.db2.gz HCIJZGJEZLHFGP-QFIPXVFZSA-N 2 1 379.548 3.827 20 10 GHCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000756568808 1023715461 /nfs/dbraw/zinc/71/54/61/1023715461.db2.gz IWODPXLYXJTDPV-KRWDZBQOSA-N 2 1 398.503 3.504 20 10 GHCDMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1O)CC2 ZINC001138125258 1024169475 /nfs/dbraw/zinc/16/94/75/1024169475.db2.gz MJVRVQQDQXXLOT-FQEVSTJZSA-N 2 1 384.495 3.787 20 10 GHCDMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1O)CC2 ZINC001138125258 1024169479 /nfs/dbraw/zinc/16/94/79/1024169479.db2.gz MJVRVQQDQXXLOT-FQEVSTJZSA-N 2 1 384.495 3.787 20 10 GHCDMP C[NH+]1CCN(c2ccc(CNC[C@H]3CCC[N@H+]3CC3CCCCC3)cc2)CC1 ZINC001461153915 1069415668 /nfs/dbraw/zinc/41/56/68/1069415668.db2.gz SXRWSIABAWXUKE-XMMPIXPASA-N 2 1 384.612 3.573 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCCN3CC3CCCCC3)cc2)CC1 ZINC001461153915 1069415671 /nfs/dbraw/zinc/41/56/71/1069415671.db2.gz SXRWSIABAWXUKE-XMMPIXPASA-N 2 1 384.612 3.573 20 10 GHCDMP COc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1O ZINC001203593209 1027458206 /nfs/dbraw/zinc/45/82/06/1027458206.db2.gz KRMVDBOYINRPLN-UHFFFAOYSA-N 2 1 396.531 3.576 20 10 GHCDMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001203628586 1027487553 /nfs/dbraw/zinc/48/75/53/1027487553.db2.gz BYJWVCYAEIGWIA-WTOYTKOKSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001203628586 1027487568 /nfs/dbraw/zinc/48/75/68/1027487568.db2.gz BYJWVCYAEIGWIA-WTOYTKOKSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001203628586 1027487580 /nfs/dbraw/zinc/48/75/80/1027487580.db2.gz BYJWVCYAEIGWIA-WTOYTKOKSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001203628586 1027487588 /nfs/dbraw/zinc/48/75/88/1027487588.db2.gz BYJWVCYAEIGWIA-WTOYTKOKSA-N 2 1 381.520 3.528 20 10 GHCDMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001206756099 1033971630 /nfs/dbraw/zinc/97/16/30/1033971630.db2.gz WRUHBWNRVFKCMH-UHFFFAOYSA-N 2 1 393.300 3.786 20 10 GHCDMP Cc1cc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)n1-c1ccccc1 ZINC001207018047 1034056448 /nfs/dbraw/zinc/05/64/48/1034056448.db2.gz NBHWRZTZUZVTSZ-DEOSSOPVSA-N 2 1 381.564 3.870 20 10 GHCDMP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232201042 1035158223 /nfs/dbraw/zinc/15/82/23/1035158223.db2.gz FXYNKVGSEOCMLO-UHFFFAOYSA-N 2 1 379.976 3.873 20 10 GHCDMP C[N@@H+](CCC=C1c2ccccc2CCc2ccccc21)C[C@]1(O)CCC[NH2+]C1 ZINC001246053623 1037166056 /nfs/dbraw/zinc/16/60/56/1037166056.db2.gz RXZGVIMEYSZEAJ-VWLOTQADSA-N 2 1 376.544 3.653 20 10 GHCDMP Oc1c(C[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)cccc1OC(F)(F)F ZINC001235977649 1041481184 /nfs/dbraw/zinc/48/11/84/1041481184.db2.gz OHERHYVOMDXCOQ-UHFFFAOYSA-N 2 1 392.421 3.928 20 10 GHCDMP Oc1cccc(OC(F)(F)F)c1C[N@H+]1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235979368 1041484375 /nfs/dbraw/zinc/48/43/75/1041484375.db2.gz YUQJOAPXEQHGKG-UHFFFAOYSA-N 2 1 392.421 3.928 20 10 GHCDMP CSc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236107830 1041541743 /nfs/dbraw/zinc/54/17/43/1041541743.db2.gz FFJJQICIWPUVLQ-FQEVSTJZSA-N 2 1 383.561 3.861 20 10 GHCDMP COc1ccc(C[N@H+](Cc2cc(F)cc(C)c2O)C2CC[NH2+]CC2)cc1F ZINC001236516765 1041750071 /nfs/dbraw/zinc/75/00/71/1041750071.db2.gz IFYJOSVCZJJLQN-UHFFFAOYSA-N 2 1 376.447 3.742 20 10 GHCDMP COc1ccc(C[N@@H+](Cc2cc(F)cc(C)c2O)C2CC[NH2+]CC2)cc1F ZINC001236516765 1041750080 /nfs/dbraw/zinc/75/00/80/1041750080.db2.gz IFYJOSVCZJJLQN-UHFFFAOYSA-N 2 1 376.447 3.742 20 10 GHCDMP COc1cc(O)c(C[N@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1Br ZINC001236553126 1041759800 /nfs/dbraw/zinc/75/98/00/1041759800.db2.gz XJPXNXDLQDUEOR-SHTZXODSSA-N 2 1 385.346 3.891 20 10 GHCDMP COc1cc(O)c(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)cc1Br ZINC001236553126 1041759805 /nfs/dbraw/zinc/75/98/05/1041759805.db2.gz XJPXNXDLQDUEOR-SHTZXODSSA-N 2 1 385.346 3.891 20 10 GHCDMP CC(C)C[N@@H+](Cc1ccc(N2CCOCC2)cc1Cl)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236554524 1041760252 /nfs/dbraw/zinc/76/02/52/1041760252.db2.gz JLQGSGMLUBXPIS-WGSAOQKQSA-N 2 1 379.976 3.905 20 10 GHCDMP COc1cc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c(O)cc1Br ZINC001236661741 1041810193 /nfs/dbraw/zinc/81/01/93/1041810193.db2.gz FZHJZPBXTCOVHM-OAHLLOKOSA-N 2 1 383.330 3.660 20 10 GHCDMP COc1cc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c(O)cc1Br ZINC001236661741 1041810197 /nfs/dbraw/zinc/81/01/97/1041810197.db2.gz FZHJZPBXTCOVHM-OAHLLOKOSA-N 2 1 383.330 3.660 20 10 GHCDMP CCC(CC)[N@@H+](Cc1ccc(N2CCOCC2)cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783041 1041889370 /nfs/dbraw/zinc/88/93/70/1041889370.db2.gz YMXJAJNNFUXONI-KESTWPANSA-N 2 1 377.548 3.923 20 10 GHCDMP CCc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c(O)c1 ZINC001236788401 1041894004 /nfs/dbraw/zinc/89/40/04/1041894004.db2.gz TXXJXDDUVOGMMD-FQEVSTJZSA-N 2 1 384.520 3.803 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4Nc5ccc(Cl)cc5[C@@H]4C3)cc2)CC1 ZINC001237229594 1042097836 /nfs/dbraw/zinc/09/78/36/1042097836.db2.gz DGNBPXCZCXKVOF-GMAHTHKFSA-N 2 1 396.966 3.875 20 10 GHCDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCCO4)cc2)C[C@H](C)O1 ZINC001308196288 1049909164 /nfs/dbraw/zinc/90/91/64/1049909164.db2.gz FFLFVZOCSXAWPW-KDURUIRLSA-N 2 1 380.532 3.911 20 10 GHCDMP Cc1cc(Br)c(O)c(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC001308209084 1049913624 /nfs/dbraw/zinc/91/36/24/1049913624.db2.gz LVMHZACENKBHKW-UHFFFAOYSA-N 2 1 393.325 3.693 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCc3c[nH]c4cc(F)ccc34)cc2F)CC1 ZINC001318370621 1054593613 /nfs/dbraw/zinc/59/36/13/1054593613.db2.gz DVAAYCQJSRQFDP-UHFFFAOYSA-N 2 1 384.474 3.530 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]C3(CCOCc4ccccc4)CC3)cc2F)CC1 ZINC001341240957 1060523862 /nfs/dbraw/zinc/52/38/62/1060523862.db2.gz INEMEOIFPPUTBX-UHFFFAOYSA-N 2 1 397.538 3.807 20 10 GHCDMP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccc(F)cc1F ZINC001474025394 1074240001 /nfs/dbraw/zinc/24/00/01/1074240001.db2.gz WHLBSPVAWFASGI-HNNXBMFYSA-N 2 1 377.454 3.749 20 10 GHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc(N(C)C)cc[nH+]2)C1 ZINC000683498823 837410808 /nfs/dbraw/zinc/41/08/08/837410808.db2.gz NCGXTOQAQPMQKY-UHFFFAOYSA-N 2 1 391.519 3.508 20 10 GHCDMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(C)cc1O ZINC000280014779 846259159 /nfs/dbraw/zinc/25/91/59/846259159.db2.gz GYEKTOQJURWTIO-IRLDBZIGSA-N 2 1 395.547 3.639 20 10 GHCDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C/C=C/c3ccc(N(C)C)cc3)C2)ccn1 ZINC000856550093 881366288 /nfs/dbraw/zinc/36/62/88/881366288.db2.gz WWSRGDBEZNRLOF-DGQXCUQSSA-N 2 1 394.563 3.766 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C/C=C/c3ccc(N(C)C)cc3)C2)ccn1 ZINC000856550093 881366307 /nfs/dbraw/zinc/36/63/07/881366307.db2.gz WWSRGDBEZNRLOF-DGQXCUQSSA-N 2 1 394.563 3.766 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C/C=C/c3ccc(N(C)C)cc3)C2)ccn1 ZINC000856550093 881366326 /nfs/dbraw/zinc/36/63/26/881366326.db2.gz WWSRGDBEZNRLOF-DGQXCUQSSA-N 2 1 394.563 3.766 20 10 GHCDMP Cc1cc(N(C)C)ccc1C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856559204 881436850 /nfs/dbraw/zinc/43/68/50/881436850.db2.gz PGGKAFHYFJVACZ-DEOSSOPVSA-N 2 1 396.579 3.950 20 10 GHCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856559204 881436953 /nfs/dbraw/zinc/43/69/53/881436953.db2.gz PGGKAFHYFJVACZ-DEOSSOPVSA-N 2 1 396.579 3.950 20 10 GHCDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856559204 881437102 /nfs/dbraw/zinc/43/71/02/881437102.db2.gz PGGKAFHYFJVACZ-DEOSSOPVSA-N 2 1 396.579 3.950 20 10 GHCDMP Cc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)ccc1N(C)C ZINC000856604809 881581257 /nfs/dbraw/zinc/58/12/57/881581257.db2.gz RKMCDPKDUJGBJZ-QHCPKHFHSA-N 2 1 396.579 3.950 20 10 GHCDMP Cc1cc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)ccc1N(C)C ZINC000856604809 881581269 /nfs/dbraw/zinc/58/12/69/881581269.db2.gz RKMCDPKDUJGBJZ-QHCPKHFHSA-N 2 1 396.579 3.950 20 10 GHCDMP Cc1cc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)ccc1N(C)C ZINC000856604809 881581282 /nfs/dbraw/zinc/58/12/82/881581282.db2.gz RKMCDPKDUJGBJZ-QHCPKHFHSA-N 2 1 396.579 3.950 20 10 GHCDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc(OC)ccc3O)CC2)cs1 ZINC000185423222 866074117 /nfs/dbraw/zinc/07/41/17/866074117.db2.gz WKPADGUNELXPBY-HNNXBMFYSA-N 2 1 389.565 3.983 20 10 GHCDMP Clc1cnc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)s1 ZINC000769918437 874340287 /nfs/dbraw/zinc/34/02/87/874340287.db2.gz KIHSBARUZIPRGC-UHFFFAOYSA-N 2 1 376.957 3.618 20 10 GHCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000746645937 877198557 /nfs/dbraw/zinc/19/85/57/877198557.db2.gz FWFBRQHEWNTGOX-QRFQSNJMSA-N 2 1 384.520 3.701 20 10 GHCDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cccc(C)c3O)CC2)c1C ZINC000809765915 887806191 /nfs/dbraw/zinc/80/61/91/887806191.db2.gz SGHSOXIUJCBPAF-UHFFFAOYSA-N 2 1 383.536 3.817 20 10 GHCDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cccc(C)c3O)CC2)c1C ZINC000809765915 887806203 /nfs/dbraw/zinc/80/62/03/887806203.db2.gz SGHSOXIUJCBPAF-UHFFFAOYSA-N 2 1 383.536 3.817 20 10 GHCDMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc3ccccc3c2O)c2cccs2)CC1 ZINC000816528649 894897126 /nfs/dbraw/zinc/89/71/26/894897126.db2.gz LFGLVIGDBKQYKI-FQEVSTJZSA-N 2 1 381.545 3.685 20 10 GHCDMP C[C@@H]1CCc2ccccc2N1CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001177828946 908761331 /nfs/dbraw/zinc/76/13/31/908761331.db2.gz JRWCQOQRZNJCAA-LJQANCHMSA-N 2 1 396.554 3.508 20 10 GHCDMP C[C@H]1CCc2ccccc2N1CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001177828936 908761428 /nfs/dbraw/zinc/76/14/28/908761428.db2.gz JRWCQOQRZNJCAA-IBGZPJMESA-N 2 1 396.554 3.508 20 10 GHCDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000296149871 917910557 /nfs/dbraw/zinc/91/05/57/917910557.db2.gz XXEOXMVQMKCSHY-UHFFFAOYSA-N 2 1 384.568 3.973 20 10 GHCDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000296149871 917910568 /nfs/dbraw/zinc/91/05/68/917910568.db2.gz XXEOXMVQMKCSHY-UHFFFAOYSA-N 2 1 384.568 3.973 20 10 GHCDMP COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116885771 933810668 /nfs/dbraw/zinc/81/06/68/933810668.db2.gz CBAPFIOQMGFGFY-QFIPXVFZSA-N 2 1 399.554 3.705 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1OC ZINC000245541208 1021014114 /nfs/dbraw/zinc/01/41/14/1021014114.db2.gz NSSAOHUDHQLXHN-FPOVZHCZSA-N 2 1 396.531 3.896 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1OC ZINC000245541208 1021014122 /nfs/dbraw/zinc/01/41/22/1021014122.db2.gz NSSAOHUDHQLXHN-FPOVZHCZSA-N 2 1 396.531 3.896 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1OC ZINC000245541208 1021014128 /nfs/dbraw/zinc/01/41/28/1021014128.db2.gz NSSAOHUDHQLXHN-FPOVZHCZSA-N 2 1 396.531 3.896 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1OC ZINC000245541208 1021014140 /nfs/dbraw/zinc/01/41/40/1021014140.db2.gz NSSAOHUDHQLXHN-FPOVZHCZSA-N 2 1 396.531 3.896 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001140287800 1021320925 /nfs/dbraw/zinc/32/09/25/1021320925.db2.gz BAVOPSZLWRLPDU-UHFFFAOYSA-N 2 1 385.596 3.877 20 10 GHCDMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC001140621832 1022093762 /nfs/dbraw/zinc/09/37/62/1022093762.db2.gz QYAJERZQHBBDGC-QFIPXVFZSA-N 2 1 395.547 3.599 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@]3(C2)COCCN(C(C)C)C3)c(O)c1 ZINC001140853097 1022703552 /nfs/dbraw/zinc/70/35/52/1022703552.db2.gz LYFOESWBLLMVFE-QHCPKHFHSA-N 2 1 389.584 3.561 20 10 GHCDMP CCN(CC)c1ccc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c(O)c1 ZINC001140853097 1022703563 /nfs/dbraw/zinc/70/35/63/1022703563.db2.gz LYFOESWBLLMVFE-QHCPKHFHSA-N 2 1 389.584 3.561 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](C(C)C)C3)c(O)c1 ZINC001140853097 1022703574 /nfs/dbraw/zinc/70/35/74/1022703574.db2.gz LYFOESWBLLMVFE-QHCPKHFHSA-N 2 1 389.584 3.561 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccc(F)cc3)C3CCOCC3)cc2)CC1 ZINC000756140833 1023534446 /nfs/dbraw/zinc/53/44/46/1023534446.db2.gz YQINDPJCWCLVMH-UHFFFAOYSA-N 2 1 397.538 3.759 20 10 GHCDMP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000756531812 1023700969 /nfs/dbraw/zinc/70/09/69/1023700969.db2.gz AYIBQQMEHOPZBT-NTKDMRAZSA-N 2 1 393.575 3.910 20 10 GHCDMP CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410938 1026282284 /nfs/dbraw/zinc/28/22/84/1026282284.db2.gz MPSIAHYBPVVMLV-QHCPKHFHSA-N 2 1 379.548 3.922 20 10 GHCDMP COc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(O)c1 ZINC001203622975 1027485857 /nfs/dbraw/zinc/48/58/57/1027485857.db2.gz HPCNHMHVQFNKOO-NRFANRHFSA-N 2 1 396.531 3.656 20 10 GHCDMP COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001203674853 1027525578 /nfs/dbraw/zinc/52/55/78/1027525578.db2.gz DIHHJDLQCKLXDD-BULFRSBZSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001203674853 1027525587 /nfs/dbraw/zinc/52/55/87/1027525587.db2.gz DIHHJDLQCKLXDD-BULFRSBZSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(O)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001203674853 1027525598 /nfs/dbraw/zinc/52/55/98/1027525598.db2.gz DIHHJDLQCKLXDD-BULFRSBZSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(O)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001203674853 1027525616 /nfs/dbraw/zinc/52/56/16/1027525616.db2.gz DIHHJDLQCKLXDD-BULFRSBZSA-N 2 1 381.520 3.528 20 10 GHCDMP Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC001222629930 1030250264 /nfs/dbraw/zinc/25/02/64/1030250264.db2.gz SAGCGMJTEVHMCQ-GASCZTMLSA-N 2 1 375.310 3.739 20 10 GHCDMP Cc1cc(O)c(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc1Cl ZINC001231868564 1034954750 /nfs/dbraw/zinc/95/47/50/1034954750.db2.gz UOETUAVTUJKKTJ-WIYYLYMNSA-N 2 1 378.944 3.534 20 10 GHCDMP Cc1cc(O)c(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc1Cl ZINC001231868564 1034954754 /nfs/dbraw/zinc/95/47/54/1034954754.db2.gz UOETUAVTUJKKTJ-WIYYLYMNSA-N 2 1 378.944 3.534 20 10 GHCDMP Cc1cc(O)c(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1Cl ZINC001231868564 1034954761 /nfs/dbraw/zinc/95/47/61/1034954761.db2.gz UOETUAVTUJKKTJ-WIYYLYMNSA-N 2 1 378.944 3.534 20 10 GHCDMP Cc1cc(O)c(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1Cl ZINC001231868564 1034954764 /nfs/dbraw/zinc/95/47/64/1034954764.db2.gz UOETUAVTUJKKTJ-WIYYLYMNSA-N 2 1 378.944 3.534 20 10 GHCDMP C[N@@H+](CCC=C1c2ccccc2CCc2ccccc21)C[C@@]1(O)CCC[NH2+]C1 ZINC001246053622 1037165067 /nfs/dbraw/zinc/16/50/67/1037165067.db2.gz RXZGVIMEYSZEAJ-RUZDIDTESA-N 2 1 376.544 3.653 20 10 GHCDMP CC1(C)C[C@@H]([NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)CC[NH2+]1 ZINC001247003602 1037826561 /nfs/dbraw/zinc/82/65/61/1037826561.db2.gz NZVNTRVQFOEODQ-QFIPXVFZSA-N 2 1 379.548 3.918 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(O)c1 ZINC001232837670 1038589983 /nfs/dbraw/zinc/58/99/83/1038589983.db2.gz ADSQNGFBYGODMD-UHFFFAOYSA-N 2 1 394.563 3.730 20 10 GHCDMP Oc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235356442 1040836717 /nfs/dbraw/zinc/83/67/17/1040836717.db2.gz XLAZWKRYEUWNAY-UYAOXDASSA-N 2 1 376.422 3.990 20 10 GHCDMP COc1cc(O)c(C[N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236743167 1041869932 /nfs/dbraw/zinc/86/99/32/1041869932.db2.gz YXFATXLLVBXAJM-IYARVYRRSA-N 2 1 388.483 3.821 20 10 GHCDMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237136104 1042058613 /nfs/dbraw/zinc/05/86/13/1042058613.db2.gz CDXXLMNXSAZCHB-QUCCMNQESA-N 2 1 398.469 3.591 20 10 GHCDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237136104 1042058622 /nfs/dbraw/zinc/05/86/22/1042058622.db2.gz CDXXLMNXSAZCHB-QUCCMNQESA-N 2 1 398.469 3.591 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237136104 1042058627 /nfs/dbraw/zinc/05/86/27/1042058627.db2.gz CDXXLMNXSAZCHB-QUCCMNQESA-N 2 1 398.469 3.591 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001237136104 1042058634 /nfs/dbraw/zinc/05/86/34/1042058634.db2.gz CDXXLMNXSAZCHB-QUCCMNQESA-N 2 1 398.469 3.591 20 10 GHCDMP C[C@H]1CCCN(c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2Cl)C1 ZINC000848548545 1057171043 /nfs/dbraw/zinc/17/10/43/1057171043.db2.gz HVTWFUGKYKYCHM-FXAWDEMLSA-N 2 1 391.987 3.919 20 10 GHCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001337785965 1058262712 /nfs/dbraw/zinc/26/27/12/1058262712.db2.gz QSLSVQAJFKVORK-WIYYLYMNSA-N 2 1 379.548 3.786 20 10 GHCDMP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1(CC)CC ZINC001474029864 1074241267 /nfs/dbraw/zinc/24/12/67/1074241267.db2.gz YOIRZQKVLRFNAO-SFTDATJTSA-N 2 1 377.548 3.651 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+](Cc3ccccc3)C[C@H]3CCCO3)cc2)CC1 ZINC000775662633 872499713 /nfs/dbraw/zinc/49/97/13/872499713.db2.gz YXXKSZNIWIPNSZ-XMMPIXPASA-N 2 1 379.548 3.620 20 10 GHCDMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000853241050 878924285 /nfs/dbraw/zinc/92/42/85/878924285.db2.gz SORQAZYBOPBDIP-IEBWSBKVSA-N 2 1 391.987 3.949 20 10 GHCDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000853241050 878924297 /nfs/dbraw/zinc/92/42/97/878924297.db2.gz SORQAZYBOPBDIP-IEBWSBKVSA-N 2 1 391.987 3.949 20 10 GHCDMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1O ZINC000815646709 894092927 /nfs/dbraw/zinc/09/29/27/894092927.db2.gz QEAQSOJKLFXGRH-CTNGQTDRSA-N 2 1 380.532 3.972 20 10 GHCDMP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc3ccccc3c2O)c2ccccc2)CC1 ZINC000816528261 894926416 /nfs/dbraw/zinc/92/64/16/894926416.db2.gz TUVUWGGUZMIALG-QHCPKHFHSA-N 2 1 375.516 3.624 20 10 GHCDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C2)C1 ZINC000844903327 901487064 /nfs/dbraw/zinc/48/70/64/901487064.db2.gz XOACBWZLRFDHOW-LGVFNWMJSA-N 2 1 396.531 3.690 20 10 GHCDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000757912570 929851469 /nfs/dbraw/zinc/85/14/69/929851469.db2.gz OXWKQZHRDXIDNO-UHFFFAOYSA-N 2 1 394.563 3.657 20 10 GHCDMP C[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798498664 932674041 /nfs/dbraw/zinc/67/40/41/932674041.db2.gz WTBOVNNXGKKEFX-XMMPIXPASA-N 2 1 397.538 3.664 20 10 GHCDMP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1c(O)cccc1F)CC2 ZINC001137834781 935813992 /nfs/dbraw/zinc/81/39/92/935813992.db2.gz SOGDUAQSUUNCNH-IBGZPJMESA-N 2 1 384.495 3.787 20 10 GHCDMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1c(O)cccc1F)CC2 ZINC001137834781 935813996 /nfs/dbraw/zinc/81/39/96/935813996.db2.gz SOGDUAQSUUNCNH-IBGZPJMESA-N 2 1 384.495 3.787 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](c4nc(C(C)C)no4)C3)cc2)CC1 ZINC001140305538 1021359873 /nfs/dbraw/zinc/35/98/73/1021359873.db2.gz BFGOPFFRGFYQDH-HXUWFJFHSA-N 2 1 397.567 3.715 20 10 GHCDMP CN(C)c1ccc(/C=C\C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000835027333 1021784968 /nfs/dbraw/zinc/78/49/68/1021784968.db2.gz CSUWTYXFFGKPMS-WAYWQWQTSA-N 2 1 398.639 3.894 20 10 GHCDMP CN(C)c1ccc(/C=C\C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000835027333 1021784982 /nfs/dbraw/zinc/78/49/82/1021784982.db2.gz CSUWTYXFFGKPMS-WAYWQWQTSA-N 3 1 398.639 3.894 20 10 GHCDMP CN(C)c1ccc(/C=C\C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000835027333 1021784992 /nfs/dbraw/zinc/78/49/92/1021784992.db2.gz CSUWTYXFFGKPMS-WAYWQWQTSA-N 3 1 398.639 3.894 20 10 GHCDMP Cc1ccc(O)c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001140621638 1022094981 /nfs/dbraw/zinc/09/49/81/1022094981.db2.gz NOWSPYCQTXTHIV-QFIPXVFZSA-N 2 1 380.532 3.956 20 10 GHCDMP CN1CCOc2cc(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc21 ZINC001141143970 1023580924 /nfs/dbraw/zinc/58/09/24/1023580924.db2.gz QJKKLGJYSVOAAO-XMMPIXPASA-N 2 1 377.532 3.613 20 10 GHCDMP CN1CCOc2cc(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc21 ZINC001141143970 1023580932 /nfs/dbraw/zinc/58/09/32/1023580932.db2.gz QJKKLGJYSVOAAO-XMMPIXPASA-N 2 1 377.532 3.613 20 10 GHCDMP CN1CCOc2cc(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)ccc21 ZINC001141143970 1023580939 /nfs/dbraw/zinc/58/09/39/1023580939.db2.gz QJKKLGJYSVOAAO-XMMPIXPASA-N 2 1 377.532 3.613 20 10 GHCDMP CN1CCOc2cc(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc21 ZINC001141143970 1023580946 /nfs/dbraw/zinc/58/09/46/1023580946.db2.gz QJKKLGJYSVOAAO-XMMPIXPASA-N 2 1 377.532 3.613 20 10 GHCDMP Cc1c2ccccc2n(C)c1C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001461034077 1069348876 /nfs/dbraw/zinc/34/88/76/1069348876.db2.gz DWJTULXNTGRFIW-VWLOTQADSA-N 2 1 390.575 3.955 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](Sc4ccncc4)C3)cc2)CC1 ZINC001139409554 1026282001 /nfs/dbraw/zinc/28/20/01/1026282001.db2.gz MEVZEZYCPHCHJN-JOCHJYFZSA-N 2 1 382.577 3.590 20 10 GHCDMP COc1cccc(C[C@H]2CCC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)c1 ZINC001139410924 1026282069 /nfs/dbraw/zinc/28/20/69/1026282069.db2.gz MASHBHVHQYAKHU-HSZRJFAPSA-N 2 1 393.575 3.902 20 10 GHCDMP Oc1cccc(Br)c1CN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001140100482 1026879707 /nfs/dbraw/zinc/87/97/07/1026879707.db2.gz QSNCSIPJKNZFIQ-OKILXGFUSA-N 2 1 393.350 3.780 20 10 GHCDMP CN1CCN(c2ccc(C[NH+]3CCCC4(CCCC[NH2+]C4)CCC3)cc2)CC1 ZINC001222113138 1029968720 /nfs/dbraw/zinc/96/87/20/1029968720.db2.gz DUIHUJUTCVRLDJ-UHFFFAOYSA-N 2 1 384.612 3.574 20 10 GHCDMP COc1cc(N(C)C)ccc1C[NH+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001231851800 1034942480 /nfs/dbraw/zinc/94/24/80/1034942480.db2.gz CNLYHTKPYJAVST-FGZHOGPDSA-N 2 1 379.548 3.633 20 10 GHCDMP COC(=O)c1c(C[N@@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c2ccccc2n1C ZINC001232405679 1038189048 /nfs/dbraw/zinc/18/90/48/1038189048.db2.gz OJZJOXDZOXOEBJ-ROUUACIJSA-N 2 1 383.536 3.804 20 10 GHCDMP COC(=O)c1c(C[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c2ccccc2n1C ZINC001232405679 1038189058 /nfs/dbraw/zinc/18/90/58/1038189058.db2.gz OJZJOXDZOXOEBJ-ROUUACIJSA-N 2 1 383.536 3.804 20 10 GHCDMP COC(=O)c1c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c2ccccc2n1C ZINC001232405679 1038189069 /nfs/dbraw/zinc/18/90/69/1038189069.db2.gz OJZJOXDZOXOEBJ-ROUUACIJSA-N 2 1 383.536 3.804 20 10 GHCDMP COC(=O)c1c(C[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c2ccccc2n1C ZINC001232405679 1038189077 /nfs/dbraw/zinc/18/90/77/1038189077.db2.gz OJZJOXDZOXOEBJ-ROUUACIJSA-N 2 1 383.536 3.804 20 10 GHCDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252950411 1039294111 /nfs/dbraw/zinc/29/41/11/1039294111.db2.gz BDBHJHVCMHRGHM-UKILVPOCSA-N 2 1 394.559 3.859 20 10 GHCDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950411 1039294118 /nfs/dbraw/zinc/29/41/18/1039294118.db2.gz BDBHJHVCMHRGHM-UKILVPOCSA-N 2 1 394.559 3.859 20 10 GHCDMP Oc1ccccc1C[NH+]1CCC([NH2+]C2CCN(c3ccc(F)cc3)CC2)CC1 ZINC001254620715 1040392773 /nfs/dbraw/zinc/39/27/73/1040392773.db2.gz RUGQPJDUPJWWNZ-UHFFFAOYSA-N 2 1 383.511 3.754 20 10 GHCDMP Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235087492 1040576587 /nfs/dbraw/zinc/57/65/87/1040576587.db2.gz HGZNUYNRCXBFKX-OAQYLSRUSA-N 2 1 388.458 3.792 20 10 GHCDMP Clc1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)ccc1N1CCOCC1 ZINC001235158590 1040652153 /nfs/dbraw/zinc/65/21/53/1040652153.db2.gz LJLCFSIHOQJZOO-HXUWFJFHSA-N 2 1 377.960 3.531 20 10 GHCDMP Clc1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)ccc1N1CCOCC1 ZINC001235158589 1040652246 /nfs/dbraw/zinc/65/22/46/1040652246.db2.gz LJLCFSIHOQJZOO-FQEVSTJZSA-N 2 1 377.960 3.531 20 10 GHCDMP CN1CCCc2cc(C[N@H+]3CC[C@@]4(c5ccccc5)CC[NH2+]C[C@@H]4C3)ccc21 ZINC001235360404 1040842116 /nfs/dbraw/zinc/84/21/16/1040842116.db2.gz BVMXBWXDECSMTA-ILBGXUMGSA-N 2 1 375.560 3.822 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235383145 1040902571 /nfs/dbraw/zinc/90/25/71/1040902571.db2.gz NSSBIBDFSAOZQW-HTAPYJJXSA-N 2 1 386.923 3.807 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235383145 1040902574 /nfs/dbraw/zinc/90/25/74/1040902574.db2.gz NSSBIBDFSAOZQW-HTAPYJJXSA-N 2 1 386.923 3.807 20 10 GHCDMP CCCCN(CCCC)c1ccc(C[N@@H+](CCOC)C2CC[NH2+]CC2)c(O)c1 ZINC001235945038 1041451901 /nfs/dbraw/zinc/45/19/01/1041451901.db2.gz QZRPVBPDMJZFHE-UHFFFAOYSA-N 2 1 391.600 3.999 20 10 GHCDMP COc1cc(O)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(Br)c1 ZINC001236374869 1041687259 /nfs/dbraw/zinc/68/72/59/1041687259.db2.gz FZPWCEINRMKOJM-CQSZACIVSA-N 2 1 397.357 3.908 20 10 GHCDMP COC(=O)c1cccc(C[N@H+](Cc2cc(Cl)ccc2O)C2CC[NH2+]CC2)c1 ZINC001236465025 1041727499 /nfs/dbraw/zinc/72/74/99/1041727499.db2.gz NIBHZNJAKHOGSR-UHFFFAOYSA-N 2 1 388.895 3.586 20 10 GHCDMP COC(=O)c1cccc(C[N@@H+](Cc2cc(Cl)ccc2O)C2CC[NH2+]CC2)c1 ZINC001236465025 1041727504 /nfs/dbraw/zinc/72/75/04/1041727504.db2.gz NIBHZNJAKHOGSR-UHFFFAOYSA-N 2 1 388.895 3.586 20 10 GHCDMP CCOc1ccc(C[N@H+](Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)c(O)c1 ZINC001236517982 1041750426 /nfs/dbraw/zinc/75/04/26/1041750426.db2.gz OJNXJMOXBFJJLM-UHFFFAOYSA-N 2 1 388.483 3.693 20 10 GHCDMP CCOc1ccc(C[N@@H+](Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)c(O)c1 ZINC001236517982 1041750433 /nfs/dbraw/zinc/75/04/33/1041750433.db2.gz OJNXJMOXBFJJLM-UHFFFAOYSA-N 2 1 388.483 3.693 20 10 GHCDMP COC(=O)c1c(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c2ccccc2n1C ZINC001236572362 1041766809 /nfs/dbraw/zinc/76/68/09/1041766809.db2.gz WAOFJAVHYBBURF-SAABIXHNSA-N 2 1 383.536 3.979 20 10 GHCDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc3ccccc3cc1O)C2 ZINC001236830513 1041920654 /nfs/dbraw/zinc/92/06/54/1041920654.db2.gz OYQPBNZFAVRQEO-UPVQGACJSA-N 2 1 380.532 3.726 20 10 GHCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc3ccccc3cc1O)C2 ZINC001236830513 1041920655 /nfs/dbraw/zinc/92/06/55/1041920655.db2.gz OYQPBNZFAVRQEO-UPVQGACJSA-N 2 1 380.532 3.726 20 10 GHCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc3ccccc3cc1O)C2 ZINC001236830513 1041920659 /nfs/dbraw/zinc/92/06/59/1041920659.db2.gz OYQPBNZFAVRQEO-UPVQGACJSA-N 2 1 380.532 3.726 20 10 GHCDMP Cc1ccccc1O[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236941198 1041966128 /nfs/dbraw/zinc/96/61/28/1041966128.db2.gz YCHKUATUOGDAPA-NRFANRHFSA-N 2 1 383.511 3.539 20 10 GHCDMP Oc1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237418181 1042199236 /nfs/dbraw/zinc/19/92/36/1042199236.db2.gz WTPXLPNPHJWZJT-KSSFIOAISA-N 2 1 375.310 3.882 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCCOc3ccc(F)cc3)cc2F)CC1 ZINC001321652734 1056351906 /nfs/dbraw/zinc/35/19/06/1056351906.db2.gz CUUYSSVCVNTOJL-UHFFFAOYSA-N 2 1 389.490 3.665 20 10 GHCDMP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1O ZINC000848524351 1057148113 /nfs/dbraw/zinc/14/81/13/1057148113.db2.gz ICESMAIDKWROAB-KGLIPLIRSA-N 2 1 385.346 3.934 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3[C@@H](O)c3ccccc3)cc2F)CC1 ZINC001324743709 1057217035 /nfs/dbraw/zinc/21/70/35/1057217035.db2.gz DMFMMPIPTLNPPO-ZEQRLZLVSA-N 2 1 397.538 3.666 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3[C@@H](O)c3ccccc3)cc2F)CC1 ZINC001324743709 1057217037 /nfs/dbraw/zinc/21/70/37/1057217037.db2.gz DMFMMPIPTLNPPO-ZEQRLZLVSA-N 2 1 397.538 3.666 20 10 GHCDMP CN1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc(N4CCCCC4)cc3)c2)CC1 ZINC001473976788 1074224105 /nfs/dbraw/zinc/22/41/05/1074224105.db2.gz DGWGFQMYPKSYCY-UHFFFAOYSA-N 2 1 392.591 3.714 20 10 GHCDMP COc1cc(C)c(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(O)c1 ZINC001474642410 1074495768 /nfs/dbraw/zinc/49/57/68/1074495768.db2.gz NWRBDHXPSOLOFJ-FQEVSTJZSA-N 2 1 399.535 3.598 20 10 GHCDMP COc1cc(C)c(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c(O)c1 ZINC001474642410 1074495774 /nfs/dbraw/zinc/49/57/74/1074495774.db2.gz NWRBDHXPSOLOFJ-FQEVSTJZSA-N 2 1 399.535 3.598 20 10 GHCDMP COc1cc(C)c(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c(O)c1 ZINC001474642410 1074495783 /nfs/dbraw/zinc/49/57/83/1074495783.db2.gz NWRBDHXPSOLOFJ-FQEVSTJZSA-N 2 1 399.535 3.598 20 10 GHCDMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(O)c1C ZINC000273469158 847347393 /nfs/dbraw/zinc/34/73/93/847347393.db2.gz FHFQQTFHTFJSPX-RXVVDRJESA-N 2 1 395.547 3.557 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc2ccccc2c1O ZINC000850509422 876981847 /nfs/dbraw/zinc/98/18/47/876981847.db2.gz PWZVIYUCXFGEST-UTKZUKDTSA-N 2 1 376.500 3.963 20 10 GHCDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000850565147 877030197 /nfs/dbraw/zinc/03/01/97/877030197.db2.gz BKUDNDHNWIZNNY-GOSISDBHSA-N 2 1 390.531 3.993 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1O ZINC000788736686 878312136 /nfs/dbraw/zinc/31/21/36/878312136.db2.gz WOAQXPMUFULCRL-RHSMWYFYSA-N 2 1 394.437 3.828 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1O ZINC000788736686 878312152 /nfs/dbraw/zinc/31/21/52/878312152.db2.gz WOAQXPMUFULCRL-RHSMWYFYSA-N 2 1 394.437 3.828 20 10 GHCDMP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1N1CCCCC1 ZINC000853093839 878810117 /nfs/dbraw/zinc/81/01/17/878810117.db2.gz SJHSPEYBJPKAHH-FQEVSTJZSA-N 2 1 386.540 3.797 20 10 GHCDMP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1N1CCCCC1 ZINC000853093839 878810126 /nfs/dbraw/zinc/81/01/26/878810126.db2.gz SJHSPEYBJPKAHH-FQEVSTJZSA-N 2 1 386.540 3.797 20 10 GHCDMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@@H]1C(F)(F)F ZINC000863645509 887259981 /nfs/dbraw/zinc/25/99/81/887259981.db2.gz IZPCJIKDEUWQOK-MJGOQNOKSA-N 2 1 394.437 3.930 20 10 GHCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@@H]1C(F)(F)F ZINC000863645509 887259997 /nfs/dbraw/zinc/25/99/97/887259997.db2.gz IZPCJIKDEUWQOK-MJGOQNOKSA-N 2 1 394.437 3.930 20 10 GHCDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1c1cccs1 ZINC000877055576 893459888 /nfs/dbraw/zinc/45/98/88/893459888.db2.gz UGMPJTZAOFHVLQ-XXBNENTESA-N 2 1 399.604 3.882 20 10 GHCDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1c1cccs1 ZINC000877055576 893459890 /nfs/dbraw/zinc/45/98/90/893459890.db2.gz UGMPJTZAOFHVLQ-XXBNENTESA-N 2 1 399.604 3.882 20 10 GHCDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1c1cccs1 ZINC000877055571 893459946 /nfs/dbraw/zinc/45/99/46/893459946.db2.gz UGMPJTZAOFHVLQ-CVDCTZTESA-N 2 1 399.604 3.882 20 10 GHCDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1c1cccs1 ZINC000877055571 893459957 /nfs/dbraw/zinc/45/99/57/893459957.db2.gz UGMPJTZAOFHVLQ-CVDCTZTESA-N 2 1 399.604 3.882 20 10 GHCDMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796295865 914203955 /nfs/dbraw/zinc/20/39/55/914203955.db2.gz CBTXKDGYDBPVEX-DEOSSOPVSA-N 2 1 393.575 3.576 20 10 GHCDMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(N(C)C)cc1 ZINC000248437886 912099328 /nfs/dbraw/zinc/09/93/28/912099328.db2.gz HJSUUNHPNCMOJI-ZEQRLZLVSA-N 2 1 381.564 3.950 20 10 GHCDMP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Oc1ccccc1Cl ZINC001116139096 933357357 /nfs/dbraw/zinc/35/73/57/933357357.db2.gz MWRMRRLSDCUPHU-INIZCTEOSA-N 2 1 391.918 3.788 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](OCc4ccccc4)C3)cc2)CC1 ZINC001140304108 1021354335 /nfs/dbraw/zinc/35/43/35/1021354335.db2.gz IKGBTUHDRKYXPY-DEOSSOPVSA-N 2 1 379.548 3.620 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCc4ccc(OC)cc4C3)cc2)CC1 ZINC001140309910 1021370246 /nfs/dbraw/zinc/37/02/46/1021370246.db2.gz ZQVPRJIWGMYPTA-UHFFFAOYSA-N 2 1 379.548 3.786 20 10 GHCDMP CN(C)c1ccc(/C=C/C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000835027330 1021784679 /nfs/dbraw/zinc/78/46/79/1021784679.db2.gz CSUWTYXFFGKPMS-AATRIKPKSA-N 2 1 398.639 3.894 20 10 GHCDMP CN(C)c1ccc(/C=C/C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000835027330 1021784692 /nfs/dbraw/zinc/78/46/92/1021784692.db2.gz CSUWTYXFFGKPMS-AATRIKPKSA-N 3 1 398.639 3.894 20 10 GHCDMP CN(C)c1ccc(/C=C/C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000835027330 1021784705 /nfs/dbraw/zinc/78/47/05/1021784705.db2.gz CSUWTYXFFGKPMS-AATRIKPKSA-N 3 1 398.639 3.894 20 10 GHCDMP COc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)cc1O ZINC001231639513 1034796677 /nfs/dbraw/zinc/79/66/77/1034796677.db2.gz RPJGJXLMMOTGRB-HSZRJFAPSA-N 2 1 382.504 3.595 20 10 GHCDMP COc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)cc1O ZINC001231639513 1034796692 /nfs/dbraw/zinc/79/66/92/1034796692.db2.gz RPJGJXLMMOTGRB-HSZRJFAPSA-N 2 1 382.504 3.595 20 10 GHCDMP COc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(O)cc1O ZINC001231639513 1034796706 /nfs/dbraw/zinc/79/67/06/1034796706.db2.gz RPJGJXLMMOTGRB-HSZRJFAPSA-N 2 1 382.504 3.595 20 10 GHCDMP COc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(O)cc1O ZINC001231639513 1034796721 /nfs/dbraw/zinc/79/67/21/1034796721.db2.gz RPJGJXLMMOTGRB-HSZRJFAPSA-N 2 1 382.504 3.595 20 10 GHCDMP CC(C)[C@H]1C[C@@H]([NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)CC[NH2+]1 ZINC001247000771 1037825918 /nfs/dbraw/zinc/82/59/18/1037825918.db2.gz OJBIZUOFYHGQOR-LADGPHEKSA-N 2 1 394.563 3.559 20 10 GHCDMP CC[NH+]1CCN(c2ccc(O[C@@H]3CCC[N@H+]([C@H](C)c4ccccn4)C3)cc2)CC1 ZINC001234660042 1040195668 /nfs/dbraw/zinc/19/56/68/1040195668.db2.gz CIBPUVCEINYURN-NFBKMPQASA-N 2 1 394.563 3.828 20 10 GHCDMP COc1cc(Cl)cc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c1O ZINC001235386637 1040905716 /nfs/dbraw/zinc/90/57/16/1040905716.db2.gz WDCUUOJFDGOARJ-GCJKJVERSA-N 2 1 386.923 3.807 20 10 GHCDMP CC(C)(C)c1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c(O)c1 ZINC001235679378 1041141448 /nfs/dbraw/zinc/14/14/48/1041141448.db2.gz NHGPBHLZMPQFGJ-UHFFFAOYSA-N 2 1 396.579 3.930 20 10 GHCDMP COC(=O)c1cccc(C[N@@H+](Cc2c(C)cc(C)cc2O)C2CC[NH2+]CC2)c1 ZINC001236467099 1041729203 /nfs/dbraw/zinc/72/92/03/1041729203.db2.gz PBTDPKFCRPIDFT-UHFFFAOYSA-N 2 1 382.504 3.550 20 10 GHCDMP C[C@H](c1cccc(Br)c1)[N@@H+](C)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001237057881 1042014294 /nfs/dbraw/zinc/01/42/94/1042014294.db2.gz OIQXYHRHUHOJFZ-CYBMUJFWSA-N 2 1 391.309 3.830 20 10 GHCDMP Oc1ccc(C(F)(F)F)cc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001237136885 1042058334 /nfs/dbraw/zinc/05/83/34/1042058334.db2.gz LISDKQZCLFCIBD-AEFFLSMTSA-N 2 1 391.437 3.760 20 10 GHCDMP Oc1ccc(C(F)(F)F)cc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001237136885 1042058338 /nfs/dbraw/zinc/05/83/38/1042058338.db2.gz LISDKQZCLFCIBD-AEFFLSMTSA-N 2 1 391.437 3.760 20 10 GHCDMP Oc1ccc(C(F)(F)F)cc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001237136885 1042058342 /nfs/dbraw/zinc/05/83/42/1042058342.db2.gz LISDKQZCLFCIBD-AEFFLSMTSA-N 2 1 391.437 3.760 20 10 GHCDMP Oc1ccc(C(F)(F)F)cc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001237136885 1042058345 /nfs/dbraw/zinc/05/83/45/1042058345.db2.gz LISDKQZCLFCIBD-AEFFLSMTSA-N 2 1 391.437 3.760 20 10 GHCDMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4c(C)cccc4O)CC3)C2)c1 ZINC001237486787 1042230718 /nfs/dbraw/zinc/23/07/18/1042230718.db2.gz UIMJBVOZHOUMFN-UHFFFAOYSA-N 2 1 396.531 3.576 20 10 GHCDMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4c(C)cccc4O)CC3)C2)c1 ZINC001237486787 1042230722 /nfs/dbraw/zinc/23/07/22/1042230722.db2.gz UIMJBVOZHOUMFN-UHFFFAOYSA-N 2 1 396.531 3.576 20 10 GHCDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(Br)c(C)cc2O)CC1 ZINC001237682965 1042324095 /nfs/dbraw/zinc/32/40/95/1042324095.db2.gz ICCWTGZFMILKKN-UHFFFAOYSA-N 2 1 390.325 3.906 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](c4nc5ccccc5[nH]4)C3)cc2)CC1 ZINC001337239232 1052430277 /nfs/dbraw/zinc/43/02/77/1052430277.db2.gz NGWJKZXOSAZKOH-HXUWFJFHSA-N 2 1 389.547 3.694 20 10 GHCDMP C[C@@H](Cc1ccccc1Cl)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318368474 1054591699 /nfs/dbraw/zinc/59/16/99/1054591699.db2.gz UCFPHIVIJNNUSO-INIZCTEOSA-N 2 1 375.919 3.952 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCOc3cccc4ccccc43)cc2F)CC1 ZINC001318368527 1054592874 /nfs/dbraw/zinc/59/28/74/1054592874.db2.gz WISIJBMXUWVOPL-UHFFFAOYSA-N 2 1 393.506 3.899 20 10 GHCDMP C[N@H+](Cc1ccccc1O)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001474376595 1074372022 /nfs/dbraw/zinc/37/20/22/1074372022.db2.gz PCZIZGGAYXSRJR-UHFFFAOYSA-N 2 1 383.492 3.687 20 10 GHCDMP C[NH+]1CCN(c2ccc(CNc3cc[nH+]c(NC(=O)OC(C)(C)C)c3)cc2)CC1 ZINC001167434072 840166456 /nfs/dbraw/zinc/16/64/56/840166456.db2.gz AILIIDIZTGCJAR-UHFFFAOYSA-N 2 1 397.523 3.793 20 10 GHCDMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000769193098 873847336 /nfs/dbraw/zinc/84/73/36/873847336.db2.gz ZIDFJYMNZSTAID-VXKWHMMOSA-N 2 1 384.612 3.667 20 10 GHCDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769541478 874100076 /nfs/dbraw/zinc/10/00/76/874100076.db2.gz BWNCGNUYWNFZJZ-NRFANRHFSA-N 2 1 385.596 4.000 20 10 GHCDMP CC[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Oc1ccccc1F ZINC001200912268 875388914 /nfs/dbraw/zinc/38/89/14/875388914.db2.gz YJJFPLUDVAQXJJ-SFHVURJKSA-N 2 1 389.490 3.664 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1nc(C(F)(F)F)cs1 ZINC000785602478 876126228 /nfs/dbraw/zinc/12/62/28/876126228.db2.gz QKZJURSICWNFGI-CYBMUJFWSA-N 2 1 384.471 3.765 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000850487507 876962538 /nfs/dbraw/zinc/96/25/38/876962538.db2.gz HLWYBWDLXZAPLQ-FCEUIQTBSA-N 2 1 379.548 3.774 20 10 GHCDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3c(C)cc(C)cc3O)cc2)CC1 ZINC000788538522 878133236 /nfs/dbraw/zinc/13/32/36/878133236.db2.gz GKAWGVRDKPBQMS-HXUWFJFHSA-N 2 1 381.564 3.997 20 10 GHCDMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1O ZINC000788736975 878311629 /nfs/dbraw/zinc/31/16/29/878311629.db2.gz WOAQXPMUFULCRL-YOEHRIQHSA-N 2 1 394.437 3.828 20 10 GHCDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1O ZINC000788736975 878311643 /nfs/dbraw/zinc/31/16/43/878311643.db2.gz WOAQXPMUFULCRL-YOEHRIQHSA-N 2 1 394.437 3.828 20 10 GHCDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)CC1 ZINC000876644491 893269484 /nfs/dbraw/zinc/26/94/84/893269484.db2.gz YBGQGVSLZKUDDY-QFIPXVFZSA-N 2 1 385.596 3.592 20 10 GHCDMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]Cc3ccc4c(c3)CCO4)C3(C2)CCOCC3)cc1 ZINC000815149190 893523004 /nfs/dbraw/zinc/52/30/04/893523004.db2.gz CPVLVDFQAWVQFZ-HSZRJFAPSA-N 2 1 392.543 3.640 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccc(C(F)(F)F)c1O ZINC000815626518 894057253 /nfs/dbraw/zinc/05/72/53/894057253.db2.gz GATZYVFTMFAGIL-CQSZACIVSA-N 2 1 397.441 3.987 20 10 GHCDMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000157860189 900863417 /nfs/dbraw/zinc/86/34/17/900863417.db2.gz DFVFBRUIHSDSET-OALUTQOASA-N 2 1 377.548 3.968 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(N2CCOCC2)cc1Cl ZINC000844924667 901537487 /nfs/dbraw/zinc/53/74/87/901537487.db2.gz PIOMQGMVPALMGM-AWEZNQCLSA-N 2 1 377.891 3.625 20 10 GHCDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)c1 ZINC001177737891 908733258 /nfs/dbraw/zinc/73/32/58/908733258.db2.gz YNAWEPPWEFGCTM-UHFFFAOYSA-N 2 1 378.520 3.682 20 10 GHCDMP COc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(O)c1OC ZINC001179863063 909787717 /nfs/dbraw/zinc/78/77/17/909787717.db2.gz KLYUERXKUKPTDZ-XMMPIXPASA-N 2 1 396.531 3.898 20 10 GHCDMP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c(O)c1OC ZINC001179863063 909787720 /nfs/dbraw/zinc/78/77/20/909787720.db2.gz KLYUERXKUKPTDZ-XMMPIXPASA-N 2 1 396.531 3.898 20 10 GHCDMP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c(O)c1OC ZINC001179863063 909787723 /nfs/dbraw/zinc/78/77/23/909787723.db2.gz KLYUERXKUKPTDZ-XMMPIXPASA-N 2 1 396.531 3.898 20 10 GHCDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000751150988 928051764 /nfs/dbraw/zinc/05/17/64/928051764.db2.gz DNGLGYBKBBBZME-SIKLNZKXSA-N 2 1 397.538 3.805 20 10 GHCDMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)c1 ZINC001116565088 933636827 /nfs/dbraw/zinc/63/68/27/933636827.db2.gz HKBPXRHNTWSSLY-WIYYLYMNSA-N 2 1 398.547 3.996 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]3COCc3ccccc3)cc2)CC1 ZINC001140304454 1021354735 /nfs/dbraw/zinc/35/47/35/1021354735.db2.gz QGWUBYRAODIPSG-XMMPIXPASA-N 2 1 379.548 3.620 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](Oc4cccc(C)n4)C3)cc2)CC1 ZINC001140309477 1021371184 /nfs/dbraw/zinc/37/11/84/1021371184.db2.gz HXCKQOMUVHQZNC-HSZRJFAPSA-N 2 1 394.563 3.575 20 10 GHCDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c2c1c(F)ccc2O ZINC000756340535 1023596866 /nfs/dbraw/zinc/59/68/66/1023596866.db2.gz FUDLXFYRYQDXSM-OIISXLGYSA-N 2 1 389.540 3.719 20 10 GHCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000756501593 1023686440 /nfs/dbraw/zinc/68/64/40/1023686440.db2.gz DTESSUUABAWORW-HNNXBMFYSA-N 2 1 388.533 3.803 20 10 GHCDMP COc1cc(C[NH+]2CC3(CC(OCc4ccccc4)C3)C2)cc(C[NH+](C)C)c1O ZINC001139258911 1026109959 /nfs/dbraw/zinc/10/99/59/1026109959.db2.gz AKQYDQLOUAELJC-UHFFFAOYSA-N 2 1 396.531 3.644 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCCCCCO)Cc3ccccc3)cc2)CC1 ZINC001139410817 1026282663 /nfs/dbraw/zinc/28/26/63/1026282663.db2.gz GFGMLSLDEVAXLG-UHFFFAOYSA-N 2 1 395.591 3.993 20 10 GHCDMP Cc1c2ccccc2n(C)c1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001461147322 1069413638 /nfs/dbraw/zinc/41/36/38/1069413638.db2.gz FTDAHWNQRWEKLH-QFIPXVFZSA-N 2 1 376.548 3.565 20 10 GHCDMP Cc1ccc(C)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1O ZINC001140179770 1026952139 /nfs/dbraw/zinc/95/21/39/1026952139.db2.gz OUSUXDMGZQOXGB-UHFFFAOYSA-N 2 1 380.532 3.876 20 10 GHCDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143104131 1029842653 /nfs/dbraw/zinc/84/26/53/1029842653.db2.gz CIRDGKLWUNHZFK-RDPSFJRHSA-N 2 1 386.580 3.870 20 10 GHCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143104131 1029842659 /nfs/dbraw/zinc/84/26/59/1029842659.db2.gz CIRDGKLWUNHZFK-RDPSFJRHSA-N 2 1 386.580 3.870 20 10 GHCDMP Cc1cc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(O)cc1Br ZINC001222615212 1030240238 /nfs/dbraw/zinc/24/02/38/1030240238.db2.gz NKKMJXFLPCWHDJ-QGZVFWFLSA-N 2 1 387.321 3.652 20 10 GHCDMP Cc1cc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(O)cc1Br ZINC001222615212 1030240255 /nfs/dbraw/zinc/24/02/55/1030240255.db2.gz NKKMJXFLPCWHDJ-QGZVFWFLSA-N 2 1 387.321 3.652 20 10 GHCDMP COc1cc(C)cc(CNc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)c1O ZINC001207812216 1034590393 /nfs/dbraw/zinc/59/03/93/1034590393.db2.gz AZZFSPYLYNUTQS-UHFFFAOYSA-N 2 1 392.503 3.621 20 10 GHCDMP Cc1cc(F)ccc1[C@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC001246793619 1037632272 /nfs/dbraw/zinc/63/22/72/1037632272.db2.gz VATMWGCPGKOTGC-ISKFKSNPSA-N 2 1 397.538 3.896 20 10 GHCDMP Cc1cc(F)ccc1[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC001246793619 1037632302 /nfs/dbraw/zinc/63/23/02/1037632302.db2.gz VATMWGCPGKOTGC-ISKFKSNPSA-N 2 1 397.538 3.896 20 10 GHCDMP CC[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)CC[NH2+]1 ZINC001247004345 1037829636 /nfs/dbraw/zinc/82/96/36/1037829636.db2.gz PDDSFVLKXSJJIV-GGAORHGYSA-N 2 1 379.548 3.918 20 10 GHCDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(C(F)(F)F)cc3O)C2)C1 ZINC001233452708 1039337779 /nfs/dbraw/zinc/33/77/79/1039337779.db2.gz HTXMBKHSWXCANA-UYAOXDASSA-N 2 1 398.469 3.591 20 10 GHCDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(C(F)(F)F)cc3O)C2)C1 ZINC001233452708 1039337792 /nfs/dbraw/zinc/33/77/92/1039337792.db2.gz HTXMBKHSWXCANA-UYAOXDASSA-N 2 1 398.469 3.591 20 10 GHCDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(C(F)(F)F)cc3O)C2)C1 ZINC001233452708 1039337809 /nfs/dbraw/zinc/33/78/09/1039337809.db2.gz HTXMBKHSWXCANA-UYAOXDASSA-N 2 1 398.469 3.591 20 10 GHCDMP Oc1ccc(OCc2ccccc2)cc1C[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235095608 1040585591 /nfs/dbraw/zinc/58/55/91/1040585591.db2.gz VHLOROJKWSSMQY-OAQYLSRUSA-N 2 1 388.458 3.792 20 10 GHCDMP Clc1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235156244 1040647874 /nfs/dbraw/zinc/64/78/74/1040647874.db2.gz NMJQXUNOTSLWNJ-OAQYLSRUSA-N 2 1 377.960 3.531 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[N@@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC001255388413 1040976397 /nfs/dbraw/zinc/97/63/97/1040976397.db2.gz ZFNYXRFKVFIBRM-XMMPIXPASA-N 3 1 392.591 3.583 20 10 GHCDMP C[Si](C)(C)C[N@@H+](Cc1ccccc1)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235826377 1041346344 /nfs/dbraw/zinc/34/63/44/1041346344.db2.gz WLWOJJCGDPVRCX-UHFFFAOYSA-N 2 1 383.612 3.681 20 10 GHCDMP COc1cc(O)c(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(OC)c1 ZINC001236383166 1041691716 /nfs/dbraw/zinc/69/17/16/1041691716.db2.gz SBQJGQRDNKFFFK-UHFFFAOYSA-N 2 1 388.483 3.550 20 10 GHCDMP CCOc1ccc(C[N@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)c(O)c1 ZINC001236505673 1041744837 /nfs/dbraw/zinc/74/48/37/1041744837.db2.gz XNADKYGQLHPZMH-UHFFFAOYSA-N 2 1 376.447 3.823 20 10 GHCDMP CCOc1ccc(C[N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)c(O)c1 ZINC001236505673 1041744844 /nfs/dbraw/zinc/74/48/44/1041744844.db2.gz XNADKYGQLHPZMH-UHFFFAOYSA-N 2 1 376.447 3.823 20 10 GHCDMP CCc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c(O)c1 ZINC001236788410 1041894575 /nfs/dbraw/zinc/89/45/75/1041894575.db2.gz TYYAIVBDCOKBIH-ZCYQVOJMSA-N 2 1 398.591 3.915 20 10 GHCDMP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c(O)c1 ZINC001236788410 1041894580 /nfs/dbraw/zinc/89/45/80/1041894580.db2.gz TYYAIVBDCOKBIH-ZCYQVOJMSA-N 2 1 398.591 3.915 20 10 GHCDMP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c(O)c1 ZINC001236788410 1041894585 /nfs/dbraw/zinc/89/45/85/1041894585.db2.gz TYYAIVBDCOKBIH-ZCYQVOJMSA-N 2 1 398.591 3.915 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccccc3)C3CCOCC3)c(F)c2)CC1 ZINC001236938800 1041965531 /nfs/dbraw/zinc/96/55/31/1041965531.db2.gz NSVFAFXMFYDXFB-UHFFFAOYSA-N 2 1 397.538 3.759 20 10 GHCDMP COc1cccc([C@@H]2CCC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)c1 ZINC001236941459 1041966258 /nfs/dbraw/zinc/96/62/58/1041966258.db2.gz AKQRTRNHDNTAKG-HXUWFJFHSA-N 2 1 397.538 3.966 20 10 GHCDMP Clc1ccc2c(c1)[C@H]1C[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)CC[C@@H]1N2 ZINC001237251096 1042107692 /nfs/dbraw/zinc/10/76/92/1042107692.db2.gz VPCXVLACWQYDNX-IRLDBZIGSA-N 2 1 382.939 3.533 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccc(C(F)(F)F)nc1 ZINC001330795856 1051110411 /nfs/dbraw/zinc/11/04/11/1051110411.db2.gz XOWPNZHFTBXYTR-AWEZNQCLSA-N 2 1 396.432 3.842 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@]4(C3)OCc3ccccc34)cc2F)CC1 ZINC001320717587 1055938296 /nfs/dbraw/zinc/93/82/96/1055938296.db2.gz LLBKLARDGBGDEK-XMMPIXPASA-N 2 1 395.522 3.599 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]4(C3)OCc3ccccc34)cc2F)CC1 ZINC001320717587 1055938299 /nfs/dbraw/zinc/93/82/99/1055938299.db2.gz LLBKLARDGBGDEK-XMMPIXPASA-N 2 1 395.522 3.599 20 10 GHCDMP COc1ccc([C@@H]2CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)C2)cc1 ZINC001323311731 1056951964 /nfs/dbraw/zinc/95/19/64/1056951964.db2.gz UCHJNVHMFBENOE-HXUWFJFHSA-N 2 1 383.511 3.576 20 10 GHCDMP COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)C2)cc1 ZINC001323311731 1056951966 /nfs/dbraw/zinc/95/19/66/1056951966.db2.gz UCHJNVHMFBENOE-HXUWFJFHSA-N 2 1 383.511 3.576 20 10 GHCDMP CCN(Cc1ccccc1)c1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1 ZINC000848557065 1057177057 /nfs/dbraw/zinc/17/70/57/1057177057.db2.gz HGEVRICKNXWJIB-UHFFFAOYSA-N 2 1 381.564 3.650 20 10 GHCDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000066990443 842674780 /nfs/dbraw/zinc/67/47/80/842674780.db2.gz XCZYOJJZBAIECB-UHFFFAOYSA-N 2 1 385.527 3.792 20 10 GHCDMP CCOc1cccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1O ZINC000856560429 881440674 /nfs/dbraw/zinc/44/06/74/881440674.db2.gz LWWPOIGNDVEIOW-OAQYLSRUSA-N 2 1 399.535 3.679 20 10 GHCDMP CCOc1cccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1O ZINC000856560429 881440677 /nfs/dbraw/zinc/44/06/77/881440677.db2.gz LWWPOIGNDVEIOW-OAQYLSRUSA-N 2 1 399.535 3.679 20 10 GHCDMP CCOc1cccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1O ZINC000856560429 881440679 /nfs/dbraw/zinc/44/06/79/881440679.db2.gz LWWPOIGNDVEIOW-OAQYLSRUSA-N 2 1 399.535 3.679 20 10 GHCDMP Cc1cc(O)c(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1C ZINC000856560181 881440188 /nfs/dbraw/zinc/44/01/88/881440188.db2.gz KWNPTGMMRZDACT-QFIPXVFZSA-N 2 1 383.536 3.898 20 10 GHCDMP Cc1cc(O)c(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1C ZINC000856560181 881440193 /nfs/dbraw/zinc/44/01/93/881440193.db2.gz KWNPTGMMRZDACT-QFIPXVFZSA-N 2 1 383.536 3.898 20 10 GHCDMP Cc1cc(O)c(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1C ZINC000856560181 881440199 /nfs/dbraw/zinc/44/01/99/881440199.db2.gz KWNPTGMMRZDACT-QFIPXVFZSA-N 2 1 383.536 3.898 20 10 GHCDMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764968767 859713397 /nfs/dbraw/zinc/71/33/97/859713397.db2.gz CKZWRXXXKQEWKB-OTWHNJEPSA-N 2 1 377.548 3.681 20 10 GHCDMP CN(Cc1cccs1)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000850396198 876877502 /nfs/dbraw/zinc/87/75/02/876877502.db2.gz HULIAZLQLKXLEM-OAQYLSRUSA-N 2 1 385.577 3.727 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)C2)cc1 ZINC000850488094 876964079 /nfs/dbraw/zinc/96/40/79/876964079.db2.gz LBKRLGMBCFUSIP-IZIIKQMZSA-N 2 1 379.548 3.774 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)C2)cc1 ZINC000850488094 876964086 /nfs/dbraw/zinc/96/40/86/876964086.db2.gz LBKRLGMBCFUSIP-IZIIKQMZSA-N 2 1 379.548 3.774 20 10 GHCDMP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000815149728 893522065 /nfs/dbraw/zinc/52/20/65/893522065.db2.gz XRAXMLDTXVYSPL-JOCHJYFZSA-N 2 1 380.532 3.719 20 10 GHCDMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1O ZINC000815646710 894092996 /nfs/dbraw/zinc/09/29/96/894092996.db2.gz QEAQSOJKLFXGRH-FPOVZHCZSA-N 2 1 380.532 3.972 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccc(F)cc3)c3ccccn3)cc2)CC1 ZINC000883290067 897454850 /nfs/dbraw/zinc/45/48/50/897454850.db2.gz JULQLFUYQPVQOD-XMMPIXPASA-N 2 1 390.506 3.852 20 10 GHCDMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000132325989 897756958 /nfs/dbraw/zinc/75/69/58/897756958.db2.gz NSCHPJCWUSYLCW-IBGZPJMESA-N 2 1 397.538 3.978 20 10 GHCDMP Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(O)c1 ZINC000293679607 916326043 /nfs/dbraw/zinc/32/60/43/916326043.db2.gz KHQKBLGRDMWQLF-GHTZIAJQSA-N 2 1 395.547 3.557 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccsc3Br)cc2)CC1 ZINC000800889373 920570766 /nfs/dbraw/zinc/57/07/66/920570766.db2.gz TULKNFHBPNEYOX-UHFFFAOYSA-N 2 1 380.355 3.552 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4[C@@H](C3)CCC[C@H]4OCC3CC3)cc2)CC1 ZINC001140304933 1021359116 /nfs/dbraw/zinc/35/91/16/1021359116.db2.gz HRAXTSWVPWRMGE-PZUNEJSGSA-N 2 1 397.607 3.856 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)[C@H](C)Cc3ccccc3OC)cc2)CC1 ZINC001140306210 1021361817 /nfs/dbraw/zinc/36/18/17/1021361817.db2.gz PFJKVPYOEWMBPX-HXUWFJFHSA-N 2 1 381.564 3.900 20 10 GHCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140309729 1021369723 /nfs/dbraw/zinc/36/97/23/1021369723.db2.gz RZKQTAXGOZXZGT-UHFFFAOYSA-N 2 1 380.580 3.917 20 10 GHCDMP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(O)c1 ZINC001140950385 1022972254 /nfs/dbraw/zinc/97/22/54/1022972254.db2.gz RMIZYMMQYDAGBB-JOCHJYFZSA-N 2 1 380.532 3.956 20 10 GHCDMP CCc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(O)c(C(C)(C)C)c1 ZINC000755783392 1023375938 /nfs/dbraw/zinc/37/59/38/1023375938.db2.gz XZIZJAFIOIKCCZ-CBQGHPETSA-N 2 1 399.623 3.995 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccccc3)C3CCOCC3)cc2)CC1 ZINC001139409959 1026282474 /nfs/dbraw/zinc/28/24/74/1026282474.db2.gz XERDBVXIGDHCMS-UHFFFAOYSA-N 2 1 379.548 3.620 20 10 GHCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001139412011 1026283076 /nfs/dbraw/zinc/28/30/76/1026283076.db2.gz AXNXCNOKFPVBBO-VWLOTQADSA-N 2 1 392.591 3.535 20 10 GHCDMP CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001139412011 1026283089 /nfs/dbraw/zinc/28/30/89/1026283089.db2.gz AXNXCNOKFPVBBO-VWLOTQADSA-N 2 1 392.591 3.535 20 10 GHCDMP CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139412011 1026283103 /nfs/dbraw/zinc/28/31/03/1026283103.db2.gz AXNXCNOKFPVBBO-VWLOTQADSA-N 2 1 392.591 3.535 20 10 GHCDMP CCCCn1nc(C)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1Cl ZINC001203490817 1027378762 /nfs/dbraw/zinc/37/87/62/1027378762.db2.gz CDTAWCVQZNYMKQ-UHFFFAOYSA-N 2 1 389.975 3.687 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1OC ZINC000843106537 1029812015 /nfs/dbraw/zinc/81/20/15/1029812015.db2.gz BIVWJRAGEGSGLD-QUCCMNQESA-N 2 1 384.520 3.582 20 10 GHCDMP COc1cc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(O)cc1Br ZINC001222173628 1029988871 /nfs/dbraw/zinc/98/88/71/1029988871.db2.gz WOIHQUSNZWHIIQ-IBGZPJMESA-N 2 1 397.357 3.909 20 10 GHCDMP COc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(O)cc1Br ZINC001222173628 1029988876 /nfs/dbraw/zinc/98/88/76/1029988876.db2.gz WOIHQUSNZWHIIQ-IBGZPJMESA-N 2 1 397.357 3.909 20 10 GHCDMP Cc1c(O)ccc(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1O ZINC001222582777 1030209384 /nfs/dbraw/zinc/20/93/84/1030209384.db2.gz GKEIGENOMFNOAT-OAQYLSRUSA-N 2 1 396.531 3.710 20 10 GHCDMP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)C1 ZINC001208613936 1034955314 /nfs/dbraw/zinc/95/53/14/1034955314.db2.gz IIOCPAALBSJVFD-JOCHJYFZSA-N 2 1 379.548 3.729 20 10 GHCDMP C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)C1 ZINC001208613936 1034955318 /nfs/dbraw/zinc/95/53/18/1034955318.db2.gz IIOCPAALBSJVFD-JOCHJYFZSA-N 2 1 379.548 3.729 20 10 GHCDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc3ccccc3c1O)C2 ZINC001231879068 1034962451 /nfs/dbraw/zinc/96/24/51/1034962451.db2.gz UYGVPTNCJVKCEV-QPPBQGQZSA-N 2 1 380.532 3.726 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC001231879068 1034962454 /nfs/dbraw/zinc/96/24/54/1034962454.db2.gz UYGVPTNCJVKCEV-QPPBQGQZSA-N 2 1 380.532 3.726 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc3ccccc3c1O)C2 ZINC001231879068 1034962459 /nfs/dbraw/zinc/96/24/59/1034962459.db2.gz UYGVPTNCJVKCEV-QPPBQGQZSA-N 2 1 380.532 3.726 20 10 GHCDMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(Br)c(OC)cc2O)CC1 ZINC001233141502 1038920240 /nfs/dbraw/zinc/92/02/40/1038920240.db2.gz ITCQCGBUKFGGNO-UHFFFAOYSA-N 2 1 385.346 3.860 20 10 GHCDMP CCCCN(CCCC)c1ccc(C[N@H+]2CCC[C@]3(CNCCO3)C2)c(O)c1 ZINC001235117229 1040608100 /nfs/dbraw/zinc/60/81/00/1040608100.db2.gz KWONYIMMXQFGFX-QHCPKHFHSA-N 2 1 389.584 3.753 20 10 GHCDMP CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)c(F)c1)CCO2 ZINC001255164887 1040882328 /nfs/dbraw/zinc/88/23/28/1040882328.db2.gz MXVQMMPXYYOQQO-OAQYLSRUSA-N 2 1 399.510 3.590 20 10 GHCDMP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC001255382464 1040973217 /nfs/dbraw/zinc/97/32/17/1040973217.db2.gz UURYJEILQHRYGP-HSZRJFAPSA-N 2 1 379.548 3.668 20 10 GHCDMP Clc1cc(C[N@H+](Cc2ccccc2)C2CC[NH2+]CC2)ccc1N1CCOCC1 ZINC001236300843 1041665304 /nfs/dbraw/zinc/66/53/04/1041665304.db2.gz NJPGIHPFSFBICT-UHFFFAOYSA-N 2 1 399.966 3.931 20 10 GHCDMP Clc1cc(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)ccc1N1CCOCC1 ZINC001236300843 1041665307 /nfs/dbraw/zinc/66/53/07/1041665307.db2.gz NJPGIHPFSFBICT-UHFFFAOYSA-N 2 1 399.966 3.931 20 10 GHCDMP Oc1ccccc1C[N@@H+](Cc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC001236377521 1041688345 /nfs/dbraw/zinc/68/83/45/1041688345.db2.gz KROHKJQRFVOEST-UHFFFAOYSA-N 2 1 375.310 3.909 20 10 GHCDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cc4ccccc4cc3O)C2)C1 ZINC001236830778 1041920477 /nfs/dbraw/zinc/92/04/77/1041920477.db2.gz QZKARBSUFBMWEX-ISKFKSNPSA-N 2 1 380.532 3.726 20 10 GHCDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cc4ccccc4cc3O)C2)C1 ZINC001236830778 1041920478 /nfs/dbraw/zinc/92/04/78/1041920478.db2.gz QZKARBSUFBMWEX-ISKFKSNPSA-N 2 1 380.532 3.726 20 10 GHCDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cc4ccccc4cc3O)C2)C1 ZINC001236830778 1041920481 /nfs/dbraw/zinc/92/04/81/1041920481.db2.gz QZKARBSUFBMWEX-ISKFKSNPSA-N 2 1 380.532 3.726 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](Oc4ccccc4)C3)c(F)c2)CC1 ZINC001236940924 1041966066 /nfs/dbraw/zinc/96/60/66/1041966066.db2.gz WWVWFXTXZRZENX-QFIPXVFZSA-N 2 1 383.511 3.621 20 10 GHCDMP COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)cc1 ZINC001236944103 1041966298 /nfs/dbraw/zinc/96/62/98/1041966298.db2.gz ZUWZUQZCTBQRRH-LJQANCHMSA-N 2 1 383.511 3.576 20 10 GHCDMP FC1(C[NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)CC[NH2+]CC1 ZINC001237259897 1042111819 /nfs/dbraw/zinc/11/18/19/1042111819.db2.gz ZWEUTKSMZJIZOR-UHFFFAOYSA-N 2 1 394.494 3.709 20 10 GHCDMP Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC001300646396 1056761298 /nfs/dbraw/zinc/76/12/98/1056761298.db2.gz HHNOLZAKKBSNLV-IBGZPJMESA-N 2 1 398.595 3.713 20 10 GHCDMP Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C)n1-c1cc(C)cc(C)c1 ZINC001300646396 1056761310 /nfs/dbraw/zinc/76/13/10/1056761310.db2.gz HHNOLZAKKBSNLV-IBGZPJMESA-N 2 1 398.595 3.713 20 10 GHCDMP CCc1cccc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1O ZINC000848894323 1057403674 /nfs/dbraw/zinc/40/36/74/1057403674.db2.gz IYZRZHZJHFMUGL-UHFFFAOYSA-N 2 1 398.547 3.734 20 10 GHCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001337786774 1058262603 /nfs/dbraw/zinc/26/26/03/1058262603.db2.gz YCUQNSJERBXYMQ-SQNIBIBYSA-N 2 1 385.577 3.889 20 10 GHCDMP Oc1cc(F)c(F)cc1C[NH+]1CCC2(C[NH+](CCCC(F)(F)F)C2)CC1 ZINC001279107374 839013051 /nfs/dbraw/zinc/01/30/51/839013051.db2.gz OJSLZOHWHNLYFN-UHFFFAOYSA-N 2 1 378.385 3.911 20 10 GHCDMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000195137326 840412555 /nfs/dbraw/zinc/41/25/55/840412555.db2.gz OPZCTEJQGKNTGX-TZIWHRDSSA-N 2 1 397.538 3.835 20 10 GHCDMP CCOc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(O)c1 ZINC000856560182 881440485 /nfs/dbraw/zinc/44/04/85/881440485.db2.gz KZWDODFIZFXVNU-JOCHJYFZSA-N 2 1 399.535 3.679 20 10 GHCDMP CCOc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c(O)c1 ZINC000856560182 881440490 /nfs/dbraw/zinc/44/04/90/881440490.db2.gz KZWDODFIZFXVNU-JOCHJYFZSA-N 2 1 399.535 3.679 20 10 GHCDMP CCOc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c(O)c1 ZINC000856560182 881440496 /nfs/dbraw/zinc/44/04/96/881440496.db2.gz KZWDODFIZFXVNU-JOCHJYFZSA-N 2 1 399.535 3.679 20 10 GHCDMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(N(C)C)cc3)C2)ccn1 ZINC000856560277 881441024 /nfs/dbraw/zinc/44/10/24/881441024.db2.gz GUTCXBWPWKHHRG-QHCPKHFHSA-N 2 1 382.552 3.641 20 10 GHCDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)ccn1 ZINC000856560277 881441038 /nfs/dbraw/zinc/44/10/38/881441038.db2.gz GUTCXBWPWKHHRG-QHCPKHFHSA-N 2 1 382.552 3.641 20 10 GHCDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)ccn1 ZINC000856560277 881441043 /nfs/dbraw/zinc/44/10/43/881441043.db2.gz GUTCXBWPWKHHRG-QHCPKHFHSA-N 2 1 382.552 3.641 20 10 GHCDMP COc1cc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)ccc1SC ZINC000775665429 872482209 /nfs/dbraw/zinc/48/22/09/872482209.db2.gz BAGCOSLDWJVKDG-UHFFFAOYSA-N 2 1 385.577 3.801 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+](Cc3ccccc3)CC3CCOCC3)cc2)CC1 ZINC000775694773 872951176 /nfs/dbraw/zinc/95/11/76/872951176.db2.gz PMUOSTYGEWQJJJ-UHFFFAOYSA-N 2 1 393.575 3.867 20 10 GHCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000775715134 873093940 /nfs/dbraw/zinc/09/39/40/873093940.db2.gz CLKTXAQGTKIOEA-MBSDFSHPSA-N 2 1 383.511 3.540 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3C[C@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000775738268 873318916 /nfs/dbraw/zinc/31/89/16/873318916.db2.gz XWQFGSFTVWPHOJ-ZEQRLZLVSA-N 2 1 397.538 3.666 20 10 GHCDMP C[C@H](CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC001200942543 875429830 /nfs/dbraw/zinc/42/98/30/875429830.db2.gz UGSLNHFTDJLESL-HXUWFJFHSA-N 2 1 381.564 3.648 20 10 GHCDMP c1nc2c(s1)CCC[C@H]2[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000858384729 883062375 /nfs/dbraw/zinc/06/23/75/883062375.db2.gz ULKAMIKCLUGEDJ-HXUWFJFHSA-N 2 1 382.577 3.842 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc2c(cc1O)CCCC2 ZINC000850508024 876980315 /nfs/dbraw/zinc/98/03/15/876980315.db2.gz JWPKKBZGPXWSIH-HTAPYJJXSA-N 2 1 380.532 3.688 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc2c(cc1O)CCCC2 ZINC000850508039 876980607 /nfs/dbraw/zinc/98/06/07/876980607.db2.gz JWPKKBZGPXWSIH-VGSWGCGISA-N 2 1 380.532 3.688 20 10 GHCDMP COc1cc(O)c(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000811517970 889670700 /nfs/dbraw/zinc/67/07/00/889670700.db2.gz FSRQFCKPELMCNE-IBGZPJMESA-N 2 1 384.520 3.801 20 10 GHCDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000154458280 892263980 /nfs/dbraw/zinc/26/39/80/892263980.db2.gz JWBFJSKZORJRQQ-HXUWFJFHSA-N 2 1 390.591 3.884 20 10 GHCDMP COc1c(O)c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000774908368 914004935 /nfs/dbraw/zinc/00/49/35/914004935.db2.gz GGWZRARGTSTUAD-MRXNPFEDSA-N 2 1 391.512 3.786 20 10 GHCDMP COc1c(O)c(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000774908368 914004953 /nfs/dbraw/zinc/00/49/53/914004953.db2.gz GGWZRARGTSTUAD-MRXNPFEDSA-N 2 1 391.512 3.786 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2ccccc2c1O ZINC000186520217 907937334 /nfs/dbraw/zinc/93/73/34/907937334.db2.gz SEWVWPOXVWGEIR-UTKZUKDTSA-N 2 1 376.500 3.963 20 10 GHCDMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000753850169 929562910 /nfs/dbraw/zinc/56/29/10/929562910.db2.gz JVDFCPQXOFBMKF-ZJSXRUAMSA-N 2 1 393.575 3.914 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](Oc4ccc(F)cc4)C3)cc2)CC1 ZINC001140304303 1021354772 /nfs/dbraw/zinc/35/47/72/1021354772.db2.gz MPLQLDKREBOVBD-HSZRJFAPSA-N 2 1 383.511 3.621 20 10 GHCDMP Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c(O)c1 ZINC001140952518 1022981789 /nfs/dbraw/zinc/98/17/89/1022981789.db2.gz VMTHMADKTITGCR-VWNXMTODSA-N 2 1 384.564 3.661 20 10 GHCDMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c(O)c1 ZINC001140952518 1022981792 /nfs/dbraw/zinc/98/17/92/1022981792.db2.gz VMTHMADKTITGCR-VWNXMTODSA-N 2 1 384.564 3.661 20 10 GHCDMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c(O)c1 ZINC001140952518 1022981799 /nfs/dbraw/zinc/98/17/99/1022981799.db2.gz VMTHMADKTITGCR-VWNXMTODSA-N 2 1 384.564 3.661 20 10 GHCDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138216740 1024386477 /nfs/dbraw/zinc/38/64/77/1024386477.db2.gz JKDPPUOFQQTQDF-NOZRDPDXSA-N 2 1 397.607 3.857 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138216740 1024386492 /nfs/dbraw/zinc/38/64/92/1024386492.db2.gz JKDPPUOFQQTQDF-NOZRDPDXSA-N 2 1 397.607 3.857 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138216740 1024386510 /nfs/dbraw/zinc/38/65/10/1024386510.db2.gz JKDPPUOFQQTQDF-NOZRDPDXSA-N 2 1 397.607 3.857 20 10 GHCDMP COc1cccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1O ZINC001203592282 1027457696 /nfs/dbraw/zinc/45/76/96/1027457696.db2.gz SACYRANELGKBOJ-UHFFFAOYSA-N 2 1 381.520 3.672 20 10 GHCDMP COc1ccc(O)c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001203672880 1027523291 /nfs/dbraw/zinc/52/32/91/1027523291.db2.gz GZXWCJBSDGQORM-NRFANRHFSA-N 2 1 396.531 3.656 20 10 GHCDMP CCOC(=O)[C@H]1CC2(C[N@H+]1Cc1cccc(-c3ccccc3)c1O)CC[NH2+]CC2 ZINC001222225563 1030020427 /nfs/dbraw/zinc/02/04/27/1030020427.db2.gz FQKNCLVGLQQUSE-OAQYLSRUSA-N 2 1 394.515 3.566 20 10 GHCDMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](Oc2ccc(N4CC[NH2+]CC4)cc2)C3)cc1 ZINC001218344080 1030904830 /nfs/dbraw/zinc/90/48/30/1030904830.db2.gz PDSPEVGPDDGPFI-FIDNPTQWSA-N 2 1 377.532 3.671 20 10 GHCDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c(O)ccc3ccccc31)C2 ZINC001231588026 1034742785 /nfs/dbraw/zinc/74/27/85/1034742785.db2.gz RDJJLBJHPYFXGH-YKSBVNFPSA-N 2 1 380.532 3.726 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1c(O)ccc3ccccc31)C2 ZINC001231588026 1034742799 /nfs/dbraw/zinc/74/27/99/1034742799.db2.gz RDJJLBJHPYFXGH-YKSBVNFPSA-N 2 1 380.532 3.726 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1c(O)ccc3ccccc31)C2 ZINC001231588026 1034742815 /nfs/dbraw/zinc/74/28/15/1034742815.db2.gz RDJJLBJHPYFXGH-YKSBVNFPSA-N 2 1 380.532 3.726 20 10 GHCDMP Cc1cc(C)c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c(O)c1 ZINC001231843653 1034937785 /nfs/dbraw/zinc/93/77/85/1034937785.db2.gz CSAZUYYIEOHVHB-IBGZPJMESA-N 2 1 384.520 3.858 20 10 GHCDMP CCOc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246945269 1037751066 /nfs/dbraw/zinc/75/10/66/1037751066.db2.gz FVRVHHGXDQVVQK-JTHBVZDNSA-N 2 1 379.548 3.571 20 10 GHCDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1c(O)ccc3cc(Br)ccc31)C2 ZINC001233195697 1038961644 /nfs/dbraw/zinc/96/16/44/1038961644.db2.gz OHLNJIAPQCTBBV-AUUYWEPGSA-N 2 1 375.310 3.691 20 10 GHCDMP Cc1cc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)ccc1N(C)C ZINC001235646231 1041085866 /nfs/dbraw/zinc/08/58/66/1041085866.db2.gz IZICXPNMZQYHEQ-UHFFFAOYSA-N 2 1 381.568 3.696 20 10 GHCDMP [NH3+]C1CCC([N@@H+](Cc2ccccc2)Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001236228629 1041633877 /nfs/dbraw/zinc/63/38/77/1041633877.db2.gz ZLVWXXUTKKDYHS-UHFFFAOYSA-N 2 1 397.538 3.934 20 10 GHCDMP COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001236814940 1041913446 /nfs/dbraw/zinc/91/34/46/1041913446.db2.gz XTGRMPZIDINFMY-NMNUPHIUSA-N 2 1 395.547 3.837 20 10 GHCDMP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001236814940 1041913452 /nfs/dbraw/zinc/91/34/52/1041913452.db2.gz XTGRMPZIDINFMY-NMNUPHIUSA-N 2 1 395.547 3.837 20 10 GHCDMP COc1cc(C)c(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001236814940 1041913454 /nfs/dbraw/zinc/91/34/54/1041913454.db2.gz XTGRMPZIDINFMY-NMNUPHIUSA-N 2 1 395.547 3.837 20 10 GHCDMP COc1cc(C)c(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001236814940 1041913455 /nfs/dbraw/zinc/91/34/55/1041913455.db2.gz XTGRMPZIDINFMY-NMNUPHIUSA-N 2 1 395.547 3.837 20 10 GHCDMP Oc1ccc(Cl)c(F)c1C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001308503639 1049992306 /nfs/dbraw/zinc/99/23/06/1049992306.db2.gz YYBPESHFQKXAON-UHFFFAOYSA-N 2 1 392.902 3.692 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)c3ccc(C(C)(C)C)cc3)cc2F)CC1 ZINC001318587926 1054735535 /nfs/dbraw/zinc/73/55/35/1054735535.db2.gz LXHVKYDLMRTVPW-QHCPKHFHSA-N 2 1 399.554 3.698 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3SCCc4ccccc43)cc2F)CC1 ZINC001319004214 1054985620 /nfs/dbraw/zinc/98/56/20/1054985620.db2.gz DKKXNTPCHIQENX-QFIPXVFZSA-N 2 1 385.552 3.698 20 10 GHCDMP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1O ZINC000848525691 1057149832 /nfs/dbraw/zinc/14/98/32/1057149832.db2.gz SJBARTDVCNHICR-NWDGAFQWSA-N 2 1 382.302 3.655 20 10 GHCDMP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001337785719 1058263079 /nfs/dbraw/zinc/26/30/79/1058263079.db2.gz QSLSVQAJFKVORK-GHTZIAJQSA-N 2 1 379.548 3.786 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(OC(F)(F)F)cc3)cc2F)CC1 ZINC001473918843 1074202951 /nfs/dbraw/zinc/20/29/51/1074202951.db2.gz FOYUBSBFIAIUKF-UHFFFAOYSA-N 2 1 397.416 3.766 20 10 GHCDMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1(CC)CC ZINC001474029862 1074241470 /nfs/dbraw/zinc/24/14/70/1074241470.db2.gz YOIRZQKVLRFNAO-NHCUHLMSSA-N 2 1 377.548 3.651 20 10 GHCDMP COc1ccc(N2CC[NH+](CCNc3cc[nH+]c4cc(F)ccc34)CC2)cc1 ZINC000733300854 862844988 /nfs/dbraw/zinc/84/49/88/862844988.db2.gz WUSYXWHYIMBJKJ-UHFFFAOYSA-N 2 1 380.467 3.617 20 10 GHCDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCCCC2)cc1 ZINC000766139859 857405798 /nfs/dbraw/zinc/40/57/98/857405798.db2.gz XJSFQDSOJDZGSA-OFVILXPXSA-N 2 1 393.575 3.965 20 10 GHCDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCCCC2)cc1 ZINC000766139859 857405804 /nfs/dbraw/zinc/40/58/04/857405804.db2.gz XJSFQDSOJDZGSA-OFVILXPXSA-N 2 1 393.575 3.965 20 10 GHCDMP CCN(C)c1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cc1 ZINC000856584939 881556293 /nfs/dbraw/zinc/55/62/93/881556293.db2.gz UYBYYDLZVQNMON-HSZRJFAPSA-N 2 1 382.552 3.643 20 10 GHCDMP CCN(C)c1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)cc1 ZINC000856584939 881556316 /nfs/dbraw/zinc/55/63/16/881556316.db2.gz UYBYYDLZVQNMON-HSZRJFAPSA-N 2 1 382.552 3.643 20 10 GHCDMP CCN(C)c1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)cc1 ZINC000856584939 881556335 /nfs/dbraw/zinc/55/63/35/881556335.db2.gz UYBYYDLZVQNMON-HSZRJFAPSA-N 2 1 382.552 3.643 20 10 GHCDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(N(C)C)c(C)c3)C2)ccn1 ZINC000856585008 881556423 /nfs/dbraw/zinc/55/64/23/881556423.db2.gz XESCKJZCQVNELJ-QFIPXVFZSA-N 2 1 382.552 3.561 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)ccn1 ZINC000856585008 881556433 /nfs/dbraw/zinc/55/64/33/881556433.db2.gz XESCKJZCQVNELJ-QFIPXVFZSA-N 2 1 382.552 3.561 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)ccn1 ZINC000856585008 881556447 /nfs/dbraw/zinc/55/64/47/881556447.db2.gz XESCKJZCQVNELJ-QFIPXVFZSA-N 2 1 382.552 3.561 20 10 GHCDMP COc1cc(C)cc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1O ZINC001183046615 912215860 /nfs/dbraw/zinc/21/58/60/912215860.db2.gz XWXJQGYMAJEUKE-OAQYLSRUSA-N 2 1 399.535 3.598 20 10 GHCDMP COc1cc(C)cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1O ZINC001183046615 912215878 /nfs/dbraw/zinc/21/58/78/912215878.db2.gz XWXJQGYMAJEUKE-OAQYLSRUSA-N 2 1 399.535 3.598 20 10 GHCDMP COc1cc(C)cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1O ZINC001183046615 912215910 /nfs/dbraw/zinc/21/59/10/912215910.db2.gz XWXJQGYMAJEUKE-OAQYLSRUSA-N 2 1 399.535 3.598 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCCO)[C@@H]3CCCc4ccccc43)cc2)CC1 ZINC000775725341 873199568 /nfs/dbraw/zinc/19/95/68/873199568.db2.gz MHYFKFSDNADAGM-RUZDIDTESA-N 2 1 393.575 3.700 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCCC[C@@H]3C[C@H](O)c3ccco3)cc2)CC1 ZINC000775738166 873321082 /nfs/dbraw/zinc/32/10/82/873321082.db2.gz USNQXUSQEUMLJG-PKTZIBPZSA-N 2 1 397.563 3.900 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850567477 877034630 /nfs/dbraw/zinc/03/46/30/877034630.db2.gz CXBIABSSHDDDAL-OFNKIYASSA-N 2 1 393.575 3.648 20 10 GHCDMP COc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c(O)c1OC ZINC001179863062 909787186 /nfs/dbraw/zinc/78/71/86/909787186.db2.gz KLYUERXKUKPTDZ-DEOSSOPVSA-N 2 1 396.531 3.898 20 10 GHCDMP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c(O)c1OC ZINC001179863062 909787188 /nfs/dbraw/zinc/78/71/88/909787188.db2.gz KLYUERXKUKPTDZ-DEOSSOPVSA-N 2 1 396.531 3.898 20 10 GHCDMP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c(O)c1OC ZINC001179863062 909787200 /nfs/dbraw/zinc/78/72/00/909787200.db2.gz KLYUERXKUKPTDZ-DEOSSOPVSA-N 2 1 396.531 3.898 20 10 GHCDMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000827855319 926083617 /nfs/dbraw/zinc/08/36/17/926083617.db2.gz AQUUZUNAFDLSNV-JOCHJYFZSA-N 2 1 384.520 3.514 20 10 GHCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000751146482 928048563 /nfs/dbraw/zinc/04/85/63/928048563.db2.gz HMKMMVSXFRPWFY-OFNKIYASSA-N 2 1 379.548 3.666 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccccc3)C3(CO)CCC3)cc2F)CC1 ZINC001117760275 934009790 /nfs/dbraw/zinc/00/97/90/934009790.db2.gz TUVWXYIGHQOCKA-HSZRJFAPSA-N 2 1 397.538 3.571 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccccc3)C3(CO)CCC3)cc2F)CC1 ZINC001117760276 934009928 /nfs/dbraw/zinc/00/99/28/934009928.db2.gz TUVWXYIGHQOCKA-QHCPKHFHSA-N 2 1 397.538 3.571 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3C(=O)OC(C)(C)C)cc2)CC1 ZINC001140304651 1021354096 /nfs/dbraw/zinc/35/40/96/1021354096.db2.gz XIDQATNJJZAHEM-NRFANRHFSA-N 2 1 387.568 3.525 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3C(=O)OC(C)(C)C)cc2)CC1 ZINC001140304651 1021354115 /nfs/dbraw/zinc/35/41/15/1021354115.db2.gz XIDQATNJJZAHEM-NRFANRHFSA-N 2 1 387.568 3.525 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@]3(C2)COCCN(C(C)C)C3)c(O)c1 ZINC001140853096 1022702993 /nfs/dbraw/zinc/70/29/93/1022702993.db2.gz LYFOESWBLLMVFE-HSZRJFAPSA-N 2 1 389.584 3.561 20 10 GHCDMP CCN(CC)c1ccc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c(O)c1 ZINC001140853096 1022703001 /nfs/dbraw/zinc/70/30/01/1022703001.db2.gz LYFOESWBLLMVFE-HSZRJFAPSA-N 2 1 389.584 3.561 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](C(C)C)C3)c(O)c1 ZINC001140853096 1022703013 /nfs/dbraw/zinc/70/30/13/1022703013.db2.gz LYFOESWBLLMVFE-HSZRJFAPSA-N 2 1 389.584 3.561 20 10 GHCDMP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c2c1c(F)ccc2O ZINC000756340526 1023596826 /nfs/dbraw/zinc/59/68/26/1023596826.db2.gz FUDLXFYRYQDXSM-DJIMGWMZSA-N 2 1 389.540 3.719 20 10 GHCDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cc2c(cc1O)CCCC2 ZINC000756601801 1023731609 /nfs/dbraw/zinc/73/16/09/1023731609.db2.gz BAIUQDMZDDGJHT-OEOAZWSVSA-N 2 1 394.559 3.805 20 10 GHCDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc2c(cc1O)CCCC2 ZINC000756601801 1023731614 /nfs/dbraw/zinc/73/16/14/1023731614.db2.gz BAIUQDMZDDGJHT-OEOAZWSVSA-N 2 1 394.559 3.805 20 10 GHCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001138498916 1024931022 /nfs/dbraw/zinc/93/10/22/1024931022.db2.gz MMTSCOBMWRGTRC-UHFFFAOYSA-N 2 1 393.575 3.867 20 10 GHCDMP COc1cccc([C@@H]2CCC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)c1 ZINC001139410769 1026281794 /nfs/dbraw/zinc/28/17/94/1026281794.db2.gz CVMPQKGZKPHBLF-JOCHJYFZSA-N 2 1 379.548 3.827 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](Sc4ccncc4)C3)cc2)CC1 ZINC001139409558 1026282618 /nfs/dbraw/zinc/28/26/18/1026282618.db2.gz MEVZEZYCPHCHJN-QFIPXVFZSA-N 2 1 382.577 3.590 20 10 GHCDMP Cc1ccc(C)c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c1O ZINC001140179513 1026952381 /nfs/dbraw/zinc/95/23/81/1026952381.db2.gz FVTVPVXNMWYAJY-OAQYLSRUSA-N 2 1 395.547 3.660 20 10 GHCDMP Cc1ccc(C)c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1O ZINC001140181189 1026954314 /nfs/dbraw/zinc/95/43/14/1026954314.db2.gz PKHYORKWUSCADS-IBGZPJMESA-N 2 1 384.520 3.858 20 10 GHCDMP Cc1ccc(C)c(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1O ZINC001140181847 1026954563 /nfs/dbraw/zinc/95/45/63/1026954563.db2.gz YBALMJHOITVEFG-RDGATRHJSA-N 2 1 398.591 3.970 20 10 GHCDMP Cc1ccc(C)c(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1O ZINC001140181847 1026954567 /nfs/dbraw/zinc/95/45/67/1026954567.db2.gz YBALMJHOITVEFG-RDGATRHJSA-N 2 1 398.591 3.970 20 10 GHCDMP Cc1ccc(C)c(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c1O ZINC001140181847 1026954569 /nfs/dbraw/zinc/95/45/69/1026954569.db2.gz YBALMJHOITVEFG-RDGATRHJSA-N 2 1 398.591 3.970 20 10 GHCDMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001203628581 1027487917 /nfs/dbraw/zinc/48/79/17/1027487917.db2.gz BYJWVCYAEIGWIA-BULFRSBZSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001203628581 1027487928 /nfs/dbraw/zinc/48/79/28/1027487928.db2.gz BYJWVCYAEIGWIA-BULFRSBZSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001203628581 1027487939 /nfs/dbraw/zinc/48/79/39/1027487939.db2.gz BYJWVCYAEIGWIA-BULFRSBZSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001203628581 1027487946 /nfs/dbraw/zinc/48/79/46/1027487946.db2.gz BYJWVCYAEIGWIA-BULFRSBZSA-N 2 1 381.520 3.528 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1 ZINC001203932004 1027724692 /nfs/dbraw/zinc/72/46/92/1027724692.db2.gz OBYTXDHNOYIFDH-NRFANRHFSA-N 2 1 383.536 3.601 20 10 GHCDMP CC(C)[C@@H]1C[C@H]([NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)CC[NH2+]1 ZINC001247000777 1037826835 /nfs/dbraw/zinc/82/68/35/1037826835.db2.gz OJBIZUOFYHGQOR-VWNXMTODSA-N 2 1 394.563 3.559 20 10 GHCDMP COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001253313583 1039550870 /nfs/dbraw/zinc/55/08/70/1039550870.db2.gz ZPSBRAMEBYFXQH-QFIPXVFZSA-N 2 1 383.511 3.923 20 10 GHCDMP COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001253313583 1039550883 /nfs/dbraw/zinc/55/08/83/1039550883.db2.gz ZPSBRAMEBYFXQH-QFIPXVFZSA-N 2 1 383.511 3.923 20 10 GHCDMP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235442417 1040940153 /nfs/dbraw/zinc/94/01/53/1040940153.db2.gz VEFYMVJCYFLBGO-UHFFFAOYSA-N 2 1 380.319 3.741 20 10 GHCDMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC2CC2)CC1 ZINC001236554178 1041760840 /nfs/dbraw/zinc/76/08/40/1041760840.db2.gz WUAYADJARPEWSP-WGSAOQKQSA-N 2 1 377.960 3.659 20 10 GHCDMP COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001236814943 1041913545 /nfs/dbraw/zinc/91/35/45/1041913545.db2.gz XTGRMPZIDINFMY-TZYHBYERSA-N 2 1 395.547 3.837 20 10 GHCDMP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001236814943 1041913547 /nfs/dbraw/zinc/91/35/47/1041913547.db2.gz XTGRMPZIDINFMY-TZYHBYERSA-N 2 1 395.547 3.837 20 10 GHCDMP COc1cc(C)c(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001236814943 1041913551 /nfs/dbraw/zinc/91/35/51/1041913551.db2.gz XTGRMPZIDINFMY-TZYHBYERSA-N 2 1 395.547 3.837 20 10 GHCDMP COc1cc(C)c(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001236814943 1041913553 /nfs/dbraw/zinc/91/35/53/1041913553.db2.gz XTGRMPZIDINFMY-TZYHBYERSA-N 2 1 395.547 3.837 20 10 GHCDMP Oc1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237418180 1042199500 /nfs/dbraw/zinc/19/95/00/1042199500.db2.gz WTPXLPNPHJWZJT-KDOFPFPSSA-N 2 1 375.310 3.882 20 10 GHCDMP COc1cc(C)c(CNc2ccc(N3CC[NH+](C)CC3)c3cc[nH+]cc23)c(O)c1 ZINC001462663429 1070453669 /nfs/dbraw/zinc/45/36/69/1070453669.db2.gz FWALQVLPWAOBBR-UHFFFAOYSA-N 2 1 392.503 3.621 20 10 GHCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001256523127 1043448549 /nfs/dbraw/zinc/44/85/49/1043448549.db2.gz NCKLINWKSZIMTP-ZJSXRUAMSA-N 3 1 392.591 3.581 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCc3ccc(F)cc3Cl)cc2F)CC1 ZINC001318457470 1054652683 /nfs/dbraw/zinc/65/26/83/1054652683.db2.gz UETURAFCNHLMSR-UHFFFAOYSA-N 2 1 379.882 3.702 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccc(C(C)(C)C)cc3)cc2F)CC1 ZINC001318587907 1054735628 /nfs/dbraw/zinc/73/56/28/1054735628.db2.gz LXHVKYDLMRTVPW-HSZRJFAPSA-N 2 1 399.554 3.698 20 10 GHCDMP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc(N(C)C)cc1 ZINC001319189729 1055089267 /nfs/dbraw/zinc/08/92/67/1055089267.db2.gz IYCATTDTWAPCSO-DEOSSOPVSA-N 2 1 380.580 3.741 20 10 GHCDMP CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001320510855 1055851121 /nfs/dbraw/zinc/85/11/21/1055851121.db2.gz ZUMMEEZMAZNCHY-QIJUGHKUSA-N 2 1 389.559 3.603 20 10 GHCDMP CCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001320510855 1055851128 /nfs/dbraw/zinc/85/11/28/1055851128.db2.gz ZUMMEEZMAZNCHY-QIJUGHKUSA-N 2 1 389.559 3.603 20 10 GHCDMP COc1ccc([C@H]2CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)C2)cc1 ZINC001323311729 1056952138 /nfs/dbraw/zinc/95/21/38/1056952138.db2.gz UCHJNVHMFBENOE-FQEVSTJZSA-N 2 1 383.511 3.576 20 10 GHCDMP COc1ccc([C@H]2CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)C2)cc1 ZINC001323311729 1056952141 /nfs/dbraw/zinc/95/21/41/1056952141.db2.gz UCHJNVHMFBENOE-FQEVSTJZSA-N 2 1 383.511 3.576 20 10 GHCDMP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1O ZINC000848524357 1057148236 /nfs/dbraw/zinc/14/82/36/1057148236.db2.gz ICESMAIDKWROAB-ZIAGYGMSSA-N 2 1 385.346 3.934 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCn3ccc4ccccc43)cc2F)CC1 ZINC001327192180 1057618343 /nfs/dbraw/zinc/61/83/43/1057618343.db2.gz MUPABYGOBZKBPK-UHFFFAOYSA-N 2 1 380.511 3.712 20 10 GHCDMP CCN1CC[NH+](Cc2ccc(C[NH2+]C/C=C\c3ccc(N(C)C)cc3)cc2)CC1 ZINC001473935673 1074210472 /nfs/dbraw/zinc/21/04/72/1074210472.db2.gz BUTXZNIOKISUKD-WAYWQWQTSA-N 2 1 392.591 3.693 20 10 GHCDMP COc1cc(O)c(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000180181479 838528566 /nfs/dbraw/zinc/52/85/66/838528566.db2.gz PTAMOUSCPQDQIK-XLIONFOSSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1cc(O)c(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000180181479 838528573 /nfs/dbraw/zinc/52/85/73/838528573.db2.gz PTAMOUSCPQDQIK-XLIONFOSSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1cc(O)c(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000180181479 838528578 /nfs/dbraw/zinc/52/85/78/838528578.db2.gz PTAMOUSCPQDQIK-XLIONFOSSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1cc(O)c(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000180181479 838528581 /nfs/dbraw/zinc/52/85/81/838528581.db2.gz PTAMOUSCPQDQIK-XLIONFOSSA-N 2 1 384.520 3.894 20 10 GHCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000766124368 857319061 /nfs/dbraw/zinc/31/90/61/857319061.db2.gz WYXWJZBAVANNHC-APTRMMRNSA-N 2 1 381.564 3.676 20 10 GHCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000766124368 857319066 /nfs/dbraw/zinc/31/90/66/857319066.db2.gz WYXWJZBAVANNHC-APTRMMRNSA-N 2 1 381.564 3.676 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+](Cc3cccs3)C[C@H]3CCCO3)cc2)CC1 ZINC000775644177 872226157 /nfs/dbraw/zinc/22/61/57/872226157.db2.gz FLYZIQGUXCTKEZ-OAQYLSRUSA-N 2 1 385.577 3.681 20 10 GHCDMP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000775741411 873345471 /nfs/dbraw/zinc/34/54/71/873345471.db2.gz YMAALMRRVCJQJR-RDTXWAMCSA-N 2 1 379.342 3.912 20 10 GHCDMP Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000775741411 873345485 /nfs/dbraw/zinc/34/54/85/873345485.db2.gz YMAALMRRVCJQJR-RDTXWAMCSA-N 2 1 379.342 3.912 20 10 GHCDMP Cc1cc(Br)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000775741411 873345496 /nfs/dbraw/zinc/34/54/96/873345496.db2.gz YMAALMRRVCJQJR-RDTXWAMCSA-N 2 1 379.342 3.912 20 10 GHCDMP Cc1cc(Br)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000775741411 873345503 /nfs/dbraw/zinc/34/55/03/873345503.db2.gz YMAALMRRVCJQJR-RDTXWAMCSA-N 2 1 379.342 3.912 20 10 GHCDMP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000769516410 874123844 /nfs/dbraw/zinc/12/38/44/874123844.db2.gz UQDSFCISEKOSNI-UHFFFAOYSA-N 2 1 399.373 3.725 20 10 GHCDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000769516410 874123848 /nfs/dbraw/zinc/12/38/48/874123848.db2.gz UQDSFCISEKOSNI-UHFFFAOYSA-N 2 1 399.373 3.725 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)cc1 ZINC000850347052 876838840 /nfs/dbraw/zinc/83/88/40/876838840.db2.gz MRPFGLPHDRFTMW-FCEUIQTBSA-N 2 1 379.548 3.917 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)cc1 ZINC000850347052 876838850 /nfs/dbraw/zinc/83/88/50/876838850.db2.gz MRPFGLPHDRFTMW-FCEUIQTBSA-N 2 1 379.548 3.917 20 10 GHCDMP COc1cc(O)c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000180181442 878618269 /nfs/dbraw/zinc/61/82/69/878618269.db2.gz PTAMOUSCPQDQIK-YLJYHZDGSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1cc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000180181442 878618284 /nfs/dbraw/zinc/61/82/84/878618284.db2.gz PTAMOUSCPQDQIK-YLJYHZDGSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1cc(O)c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000180181442 878618293 /nfs/dbraw/zinc/61/82/93/878618293.db2.gz PTAMOUSCPQDQIK-YLJYHZDGSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1cc(O)c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000180181442 878618307 /nfs/dbraw/zinc/61/83/07/878618307.db2.gz PTAMOUSCPQDQIK-YLJYHZDGSA-N 2 1 384.520 3.894 20 10 GHCDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000853241051 878924776 /nfs/dbraw/zinc/92/47/76/878924776.db2.gz SORQAZYBOPBDIP-MJGOQNOKSA-N 2 1 391.987 3.949 20 10 GHCDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000853241051 878924808 /nfs/dbraw/zinc/92/48/08/878924808.db2.gz SORQAZYBOPBDIP-MJGOQNOKSA-N 2 1 391.987 3.949 20 10 GHCDMP Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000790961383 880102995 /nfs/dbraw/zinc/10/29/95/880102995.db2.gz UONPQJIZMCQFRJ-UHFFFAOYSA-N 2 1 378.875 3.949 20 10 GHCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCC[NH+](Cc1ccccc1)C3)OCO2 ZINC000747466218 886144146 /nfs/dbraw/zinc/14/41/46/886144146.db2.gz NHFCJBTZYCEOEI-HSZRJFAPSA-N 2 1 380.488 3.609 20 10 GHCDMP Oc1cc2c(cc1C[N@H+]1CC[C@]3(C1)CCC[NH+](Cc1ccccc1)C3)OCO2 ZINC000747466218 886144152 /nfs/dbraw/zinc/14/41/52/886144152.db2.gz NHFCJBTZYCEOEI-HSZRJFAPSA-N 2 1 380.488 3.609 20 10 GHCDMP Oc1cc2c(cc1C[NH+]1CC[C@]3(C1)CCC[N@H+](Cc1ccccc1)C3)OCO2 ZINC000747466218 886144164 /nfs/dbraw/zinc/14/41/64/886144164.db2.gz NHFCJBTZYCEOEI-HSZRJFAPSA-N 2 1 380.488 3.609 20 10 GHCDMP Oc1cc2c(cc1C[NH+]1CC[C@]3(C1)CCC[N@@H+](Cc1ccccc1)C3)OCO2 ZINC000747466218 886144180 /nfs/dbraw/zinc/14/41/80/886144180.db2.gz NHFCJBTZYCEOEI-HSZRJFAPSA-N 2 1 380.488 3.609 20 10 GHCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1O ZINC000808693153 886647405 /nfs/dbraw/zinc/64/74/05/886647405.db2.gz XUCOOZZAXNHULI-UTKZUKDTSA-N 2 1 387.955 3.993 20 10 GHCDMP COc1cccc(C[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)c1O ZINC000774825159 913625615 /nfs/dbraw/zinc/62/56/15/913625615.db2.gz RORRLMHRROFDQK-KDURUIRLSA-N 2 1 398.547 3.700 20 10 GHCDMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c2ccccc21 ZINC000817887708 895930866 /nfs/dbraw/zinc/93/08/66/895930866.db2.gz CPGCDCJTVLKDAF-PMACEKPBSA-N 2 1 391.437 3.776 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778643772 897841724 /nfs/dbraw/zinc/84/17/24/897841724.db2.gz WIOJERSTNKTZSH-KNQAVFIVSA-N 2 1 397.538 3.663 20 10 GHCDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000174450735 905275317 /nfs/dbraw/zinc/27/53/17/905275317.db2.gz OEYJTBWWUCUKQT-UHFFFAOYSA-N 2 1 380.444 3.636 20 10 GHCDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001179339006 909497118 /nfs/dbraw/zinc/49/71/18/909497118.db2.gz QEBAQTRJNARJAC-REWPJTCUSA-N 2 1 393.575 3.505 20 10 GHCDMP Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(O)c1 ZINC000293679615 916325153 /nfs/dbraw/zinc/32/51/53/916325153.db2.gz KHQKBLGRDMWQLF-NQIIRXRSSA-N 2 1 395.547 3.557 20 10 GHCDMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)[C@@H]2CCC[C@H]21 ZINC000796747272 932052454 /nfs/dbraw/zinc/05/24/54/932052454.db2.gz UUHFZGKEPGLOPE-SLFFLAALSA-N 2 1 379.495 3.719 20 10 GHCDMP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(F)cc1O ZINC000796815851 932078051 /nfs/dbraw/zinc/07/80/51/932078051.db2.gz HEHDJTAIXJSFOM-NRFANRHFSA-N 2 1 399.510 3.598 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3cccc(O)c3)CC3CC3)cc2F)CC1 ZINC001116444385 933562438 /nfs/dbraw/zinc/56/24/38/933562438.db2.gz QMZNNMIFNRHCCW-UHFFFAOYSA-N 2 1 383.511 3.695 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+](Cc3cccc(O)c3)CC3CC3)cc2F)CC1 ZINC001116444385 933562442 /nfs/dbraw/zinc/56/24/42/933562442.db2.gz QMZNNMIFNRHCCW-UHFFFAOYSA-N 2 1 383.511 3.695 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](Oc4ncccc4C)C3)cc2)CC1 ZINC001140309766 1021369809 /nfs/dbraw/zinc/36/98/09/1021369809.db2.gz UCSFMIKGAJYHED-HSZRJFAPSA-N 2 1 394.563 3.575 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cc2c(cc1O)CCCC2 ZINC000756433194 1023645867 /nfs/dbraw/zinc/64/58/67/1023645867.db2.gz AMBVKTWPIUJMOF-LJQANCHMSA-N 2 1 393.575 3.869 20 10 GHCDMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[NH+](C(C)C)C2 ZINC001141698518 1026280836 /nfs/dbraw/zinc/28/08/36/1026280836.db2.gz IWIVKVPEBBDMRP-IBGZPJMESA-N 2 1 398.595 3.644 20 10 GHCDMP CC[NH+]1CCC(CC2CC[NH+](Cc3ccc(N4CCN(C)CC4)cc3)CC2)CC1 ZINC001139411045 1026282584 /nfs/dbraw/zinc/28/25/84/1026282584.db2.gz ROWFVAOMNDFLHL-UHFFFAOYSA-N 2 1 398.639 3.772 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001139411417 1026283837 /nfs/dbraw/zinc/28/38/37/1026283837.db2.gz KSNDMJGQQTWCFF-VWLOTQADSA-N 2 1 392.591 3.535 20 10 GHCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001139411417 1026283847 /nfs/dbraw/zinc/28/38/47/1026283847.db2.gz KSNDMJGQQTWCFF-VWLOTQADSA-N 2 1 392.591 3.535 20 10 GHCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001139411417 1026283861 /nfs/dbraw/zinc/28/38/61/1026283861.db2.gz KSNDMJGQQTWCFF-VWLOTQADSA-N 2 1 392.591 3.535 20 10 GHCDMP Oc1ccc(Br)cc1CN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001203640096 1027499684 /nfs/dbraw/zinc/49/96/84/1027499684.db2.gz ROXNEQKCGQPIIL-GASCZTMLSA-N 2 1 393.350 3.780 20 10 GHCDMP Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001461382254 1069526472 /nfs/dbraw/zinc/52/64/72/1069526472.db2.gz SPBHBYKKNRHRJA-OAQYLSRUSA-N 2 1 377.532 3.733 20 10 GHCDMP Oc1c(F)cccc1C[N@@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222582614 1030209602 /nfs/dbraw/zinc/20/96/02/1030209602.db2.gz DZWZURNPZDWXPD-FQEVSTJZSA-N 2 1 384.495 3.835 20 10 GHCDMP Oc1c(F)cccc1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222582614 1030209619 /nfs/dbraw/zinc/20/96/19/1030209619.db2.gz DZWZURNPZDWXPD-FQEVSTJZSA-N 2 1 384.495 3.835 20 10 GHCDMP CN(C)c1ccc(/C=C/C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001205741064 1033554981 /nfs/dbraw/zinc/55/49/81/1033554981.db2.gz RKURAQSDJMKEET-JXMROGBWSA-N 2 1 392.591 3.515 20 10 GHCDMP c1ccc2oc(-c3ccc(N4CC[NH+]([C@H]5C[C@H]6CC[C@@H](C5)[NH2+]6)CC4)cc3)nc2c1 ZINC001247004525 1037829991 /nfs/dbraw/zinc/82/99/91/1037829991.db2.gz QJICBGRMRGETEI-KXTWHKPSSA-N 2 1 388.515 3.900 20 10 GHCDMP COc1ccc(N2CC[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255398349 1040983937 /nfs/dbraw/zinc/98/39/37/1040983937.db2.gz JSJMKTBYTSQVBC-QFIPXVFZSA-N 2 1 379.548 3.872 20 10 GHCDMP COc1ccc(N2CC[NH+]([C@H]3CCC[N@@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC001255398349 1040983941 /nfs/dbraw/zinc/98/39/41/1040983941.db2.gz JSJMKTBYTSQVBC-QFIPXVFZSA-N 2 1 379.548 3.872 20 10 GHCDMP FC(F)(F)c1ccc2c(c1)C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001235758064 1041248115 /nfs/dbraw/zinc/24/81/15/1041248115.db2.gz CCBZJVZATZPADA-UHFFFAOYSA-N 2 1 375.438 3.673 20 10 GHCDMP FC(F)(F)c1ccc2c(c1)C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001235758064 1041248134 /nfs/dbraw/zinc/24/81/34/1041248134.db2.gz CCBZJVZATZPADA-UHFFFAOYSA-N 2 1 375.438 3.673 20 10 GHCDMP Oc1cc2c(cc1C[N@@H+]1CCSC[C@@H]1c1cccc(Cl)c1)C[NH2+]CCO2 ZINC001235946630 1041451544 /nfs/dbraw/zinc/45/15/44/1041451544.db2.gz NSLSFMMEMHGNDN-GOSISDBHSA-N 2 1 390.936 3.818 20 10 GHCDMP Oc1cc2c(cc1C[N@H+]1CCSC[C@@H]1c1cccc(Cl)c1)C[NH2+]CCO2 ZINC001235946630 1041451552 /nfs/dbraw/zinc/45/15/52/1041451552.db2.gz NSLSFMMEMHGNDN-GOSISDBHSA-N 2 1 390.936 3.818 20 10 GHCDMP Oc1c(C[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)cc2c3c1CCCN3CCC2 ZINC001236300569 1041665329 /nfs/dbraw/zinc/66/53/29/1041665329.db2.gz SSTIJSXBUMOKAD-UHFFFAOYSA-N 2 1 391.559 3.845 20 10 GHCDMP Oc1c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)cc2c3c1CCCN3CCC2 ZINC001236373386 1041685981 /nfs/dbraw/zinc/68/59/81/1041685981.db2.gz HDQPRPATFXYBBC-SFHVURJKSA-N 2 1 383.580 3.835 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC001236755667 1041874353 /nfs/dbraw/zinc/87/43/53/1041874353.db2.gz FVGLMCCGFIXZER-VQTJNVASSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC001236755667 1041874357 /nfs/dbraw/zinc/87/43/57/1041874357.db2.gz FVGLMCCGFIXZER-VQTJNVASSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1OC ZINC001236755667 1041874363 /nfs/dbraw/zinc/87/43/63/1041874363.db2.gz FVGLMCCGFIXZER-VQTJNVASSA-N 2 1 396.531 3.753 20 10 GHCDMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC2CCCCC2)CC1 ZINC001236767928 1041880190 /nfs/dbraw/zinc/88/01/90/1041880190.db2.gz KPJKASZUSLVAML-MEMLXQNLSA-N 3 1 387.568 3.526 20 10 GHCDMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)CC2CCCCC2)CC1 ZINC001236767928 1041880195 /nfs/dbraw/zinc/88/01/95/1041880195.db2.gz KPJKASZUSLVAML-MEMLXQNLSA-N 2 1 387.568 3.526 20 10 GHCDMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)CC2CCCCC2)CC1 ZINC001236767928 1041880201 /nfs/dbraw/zinc/88/02/01/1041880201.db2.gz KPJKASZUSLVAML-MEMLXQNLSA-N 2 1 387.568 3.526 20 10 GHCDMP Oc1c(C[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc2c3c1CCCN3CCC2 ZINC001237304285 1042135071 /nfs/dbraw/zinc/13/50/71/1042135071.db2.gz GAONLXNLSKKQBK-UHFFFAOYSA-N 2 1 389.543 3.686 20 10 GHCDMP Oc1c(C[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc2c3c1CCCN3CCC2 ZINC001237304285 1042135074 /nfs/dbraw/zinc/13/50/74/1042135074.db2.gz GAONLXNLSKKQBK-UHFFFAOYSA-N 2 1 389.543 3.686 20 10 GHCDMP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(O)c1OC ZINC001462654163 1070445742 /nfs/dbraw/zinc/44/57/42/1070445742.db2.gz NHAYLBPJVMMMOX-QHAWAJNXSA-N 2 1 396.531 3.800 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccc(C(F)(F)F)nc1 ZINC001329744327 1050899605 /nfs/dbraw/zinc/89/96/05/1050899605.db2.gz XOWPNZHFTBXYTR-CQSZACIVSA-N 2 1 396.432 3.842 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccnc(-c4ccccc4)c3)cc2F)CC1 ZINC001331677498 1051348698 /nfs/dbraw/zinc/34/86/98/1051348698.db2.gz YCAVHDIIUYVHGJ-UHFFFAOYSA-N 2 1 390.506 3.929 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](c3ccccc3)N3CCCC3)cc2F)CC1 ZINC001473913682 1074201503 /nfs/dbraw/zinc/20/15/03/1074201503.db2.gz KJCSXOCKUMYVHI-XMMPIXPASA-N 2 1 396.554 3.504 20 10 GHCDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765757734 856450855 /nfs/dbraw/zinc/45/08/55/856450855.db2.gz FRYZOIMAMXWZPG-HZPDHXFCSA-N 2 1 376.932 3.668 20 10 GHCDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(O)cccc3Cl)C2)ccn1 ZINC000856552720 881375305 /nfs/dbraw/zinc/37/53/05/881375305.db2.gz GJGHZALFOVBIGV-KRWDZBQOSA-N 2 1 375.900 3.546 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)ccn1 ZINC000856552720 881375370 /nfs/dbraw/zinc/37/53/70/881375370.db2.gz GJGHZALFOVBIGV-KRWDZBQOSA-N 2 1 375.900 3.546 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C2)ccn1 ZINC000856552720 881375388 /nfs/dbraw/zinc/37/53/88/881375388.db2.gz GJGHZALFOVBIGV-KRWDZBQOSA-N 2 1 375.900 3.546 20 10 GHCDMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764675483 859562647 /nfs/dbraw/zinc/56/26/47/859562647.db2.gz BEBFCTXGGYUFSC-IBGZPJMESA-N 2 1 385.527 3.835 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccco3)Cc3ccccc3O)cc2)CC1 ZINC000775634346 872149573 /nfs/dbraw/zinc/14/95/73/872149573.db2.gz RSFAVKXWODIPJZ-UHFFFAOYSA-N 2 1 391.515 3.939 20 10 GHCDMP Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775657686 872425006 /nfs/dbraw/zinc/42/50/06/872425006.db2.gz GOMNJDREHNIGPT-HSZRJFAPSA-N 2 1 389.547 3.662 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3[C@H](O)c3ccccc3)cc2)CC1 ZINC000775669239 872586722 /nfs/dbraw/zinc/58/67/22/872586722.db2.gz ICCBRYDCXRYGKO-BJKOFHAPSA-N 2 1 379.548 3.527 20 10 GHCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000775715136 873094885 /nfs/dbraw/zinc/09/48/85/873094885.db2.gz CLKTXAQGTKIOEA-WZONZLPQSA-N 2 1 383.511 3.540 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1OC ZINC000768465278 873329887 /nfs/dbraw/zinc/32/98/87/873329887.db2.gz FHIOBWPOUOCKOD-DEOSSOPVSA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1OC ZINC000768465278 873329905 /nfs/dbraw/zinc/32/99/05/873329905.db2.gz FHIOBWPOUOCKOD-DEOSSOPVSA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1OC ZINC000768465278 873329922 /nfs/dbraw/zinc/32/99/22/873329922.db2.gz FHIOBWPOUOCKOD-DEOSSOPVSA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1OC ZINC000768465278 873329937 /nfs/dbraw/zinc/32/99/37/873329937.db2.gz FHIOBWPOUOCKOD-DEOSSOPVSA-N 2 1 396.531 3.898 20 10 GHCDMP Cc1[nH+]ccn1CCCOC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000769663162 874221274 /nfs/dbraw/zinc/22/12/74/874221274.db2.gz JVWJTQQVKDUILJ-UHFFFAOYSA-N 2 1 394.519 3.546 20 10 GHCDMP Cc1[nH+]ccn1CCCOC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769663162 874221279 /nfs/dbraw/zinc/22/12/79/874221279.db2.gz JVWJTQQVKDUILJ-UHFFFAOYSA-N 2 1 394.519 3.546 20 10 GHCDMP Oc1cc2c(cc1C[N@H+]1CCC3(C1)CC[NH+](Cc1ccccc1)CC3)OCO2 ZINC000814223666 892415994 /nfs/dbraw/zinc/41/59/94/892415994.db2.gz LIDKJLIOAZPRSN-UHFFFAOYSA-N 2 1 380.488 3.609 20 10 GHCDMP CN(C)c1ccc([C@H]([NH3+])CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000817939188 895968540 /nfs/dbraw/zinc/96/85/40/895968540.db2.gz AHTVCKFXLQGHPE-GNLZIIPMSA-N 2 1 378.564 3.538 20 10 GHCDMP CCC1(CC)[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H](C)[C@H]1OC ZINC001178356331 909029995 /nfs/dbraw/zinc/02/99/95/909029995.db2.gz OGDORNUELRQZEW-ZLGUVYLKSA-N 2 1 377.548 3.507 20 10 GHCDMP CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116478309 933582368 /nfs/dbraw/zinc/58/23/68/933582368.db2.gz DUUCQFXCRSLXTK-ZHRRBRCNSA-N 2 1 389.490 3.582 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3C(=O)OC(C)(C)C)cc2)CC1 ZINC001140304652 1021354663 /nfs/dbraw/zinc/35/46/63/1021354663.db2.gz XIDQATNJJZAHEM-OAQYLSRUSA-N 2 1 387.568 3.525 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3C(=O)OC(C)(C)C)cc2)CC1 ZINC001140304652 1021354681 /nfs/dbraw/zinc/35/46/81/1021354681.db2.gz XIDQATNJJZAHEM-OAQYLSRUSA-N 2 1 387.568 3.525 20 10 GHCDMP CN1CCOc2cc(C[N@H+]3CCCC4=C[C@H]5C[C@H](C[NH+]6CCCC[C@H]56)[C@@H]43)ccc21 ZINC001141144572 1023963365 /nfs/dbraw/zinc/96/33/65/1023963365.db2.gz GZNXXBSCWJNDCN-IYXIZZNPSA-N 2 1 393.575 3.910 20 10 GHCDMP CN1CCOc2cc(C[NH+]3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)ccc21 ZINC001141144572 1023963368 /nfs/dbraw/zinc/96/33/68/1023963368.db2.gz GZNXXBSCWJNDCN-IYXIZZNPSA-N 2 1 393.575 3.910 20 10 GHCDMP CN1CCOc2cc(C[NH+]3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)ccc21 ZINC001141144572 1023963371 /nfs/dbraw/zinc/96/33/71/1023963371.db2.gz GZNXXBSCWJNDCN-IYXIZZNPSA-N 2 1 393.575 3.910 20 10 GHCDMP Oc1c(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc2c3c1CCCN3CCC2 ZINC001138336833 1024698249 /nfs/dbraw/zinc/69/82/49/1024698249.db2.gz FWPNYVZAJFHFFH-NRFANRHFSA-N 2 1 383.580 3.931 20 10 GHCDMP CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139260646 1026109815 /nfs/dbraw/zinc/10/98/15/1026109815.db2.gz ODESWMLDIHDNCR-FQEVSTJZSA-N 2 1 384.520 3.946 20 10 GHCDMP CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139260646 1026109822 /nfs/dbraw/zinc/10/98/22/1026109822.db2.gz ODESWMLDIHDNCR-FQEVSTJZSA-N 2 1 384.520 3.946 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H](Sc4ccccc4)C3)cc2F)CC1 ZINC001203289103 1027262110 /nfs/dbraw/zinc/26/21/10/1027262110.db2.gz JYGGKFAVXWXAGZ-KESTWPANSA-N 2 1 385.552 3.990 20 10 GHCDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218247561 1030850502 /nfs/dbraw/zinc/85/05/02/1030850502.db2.gz QKHAECYNGONRGB-HSZRJFAPSA-N 2 1 379.548 3.776 20 10 GHCDMP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2ccc4ccccc4c2O)CC3)cn1 ZINC001231881849 1034965870 /nfs/dbraw/zinc/96/58/70/1034965870.db2.gz ZZVCGNQHLGNHJI-UHFFFAOYSA-N 2 1 390.531 3.910 20 10 GHCDMP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2ccc4ccccc4c2O)CC3)cn1 ZINC001231881849 1034965875 /nfs/dbraw/zinc/96/58/75/1034965875.db2.gz ZZVCGNQHLGNHJI-UHFFFAOYSA-N 2 1 390.531 3.910 20 10 GHCDMP C[C@H]1CC([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H](C)N1Cc1ccccc1 ZINC001246171859 1037223212 /nfs/dbraw/zinc/22/32/12/1037223212.db2.gz FQRCODYVDYLVGZ-SFTDATJTSA-N 2 1 392.591 3.627 20 10 GHCDMP C[C@H]1CC(NCc2ccc(N3CC[NH2+]CC3)cc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001246171859 1037223224 /nfs/dbraw/zinc/22/32/24/1037223224.db2.gz FQRCODYVDYLVGZ-SFTDATJTSA-N 2 1 392.591 3.627 20 10 GHCDMP CC(C)[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(OCc4cccnc4)cc3)CC2)CC[NH2+]1 ZINC001247000774 1037827596 /nfs/dbraw/zinc/82/75/96/1037827596.db2.gz OJBIZUOFYHGQOR-UPVQGACJSA-N 2 1 394.563 3.559 20 10 GHCDMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC001233111760 1038903397 /nfs/dbraw/zinc/90/33/97/1038903397.db2.gz WRIDSMDMHKIFIX-INIZCTEOSA-N 2 1 377.282 3.820 20 10 GHCDMP COc1cc(O)c(C[N@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1OC ZINC001236384791 1041692573 /nfs/dbraw/zinc/69/25/73/1041692573.db2.gz CTHADFGVHBGQHJ-UHFFFAOYSA-N 2 1 388.483 3.550 20 10 GHCDMP COc1cc(Cl)cc(C[N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)c1O ZINC001236406709 1041703354 /nfs/dbraw/zinc/70/33/54/1041703354.db2.gz GAIJCLDCJFBKSR-UHFFFAOYSA-N 2 1 378.875 3.948 20 10 GHCDMP COc1cc(Cl)cc(C[N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)c1O ZINC001236406709 1041703360 /nfs/dbraw/zinc/70/33/60/1041703360.db2.gz GAIJCLDCJFBKSR-UHFFFAOYSA-N 2 1 378.875 3.948 20 10 GHCDMP Cc1ccc(F)cc1C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC001236505406 1041744058 /nfs/dbraw/zinc/74/40/58/1041744058.db2.gz FLZFYPMWQNPQNU-UHFFFAOYSA-N 2 1 397.538 3.725 20 10 GHCDMP Cc1ccc(F)cc1C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC001236505406 1041744067 /nfs/dbraw/zinc/74/40/67/1041744067.db2.gz FLZFYPMWQNPQNU-UHFFFAOYSA-N 2 1 397.538 3.725 20 10 GHCDMP COc1cc(Br)cc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1O ZINC001236550227 1041758904 /nfs/dbraw/zinc/75/89/04/1041758904.db2.gz IZHMHASICBXRHD-WKILWMFISA-N 2 1 385.346 3.891 20 10 GHCDMP Oc1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237418182 1042199104 /nfs/dbraw/zinc/19/91/04/1042199104.db2.gz WTPXLPNPHJWZJT-RDTXWAMCSA-N 2 1 375.310 3.882 20 10 GHCDMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(O)c(OC)c1 ZINC001237675145 1042317212 /nfs/dbraw/zinc/31/72/12/1042317212.db2.gz AQLSXOQUMXHFKF-UHFFFAOYSA-N 2 1 396.531 3.898 20 10 GHCDMP C[NH+]1CCN(c2ccc(CN[C@@H](C[NH3+])c3ccc4ccccc4c3)cc2F)CC1 ZINC001261370161 1045982888 /nfs/dbraw/zinc/98/28/88/1045982888.db2.gz APLMFUNEJWEIMM-QHCPKHFHSA-N 2 1 392.522 3.520 20 10 GHCDMP Cc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c(OC(C)C)c1 ZINC001308306794 1049944371 /nfs/dbraw/zinc/94/43/71/1049944371.db2.gz PQWAVUYXGNJAJU-UHFFFAOYSA-N 2 1 385.527 3.963 20 10 GHCDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(N4CCCC4)cc3)CC2)CC1 ZINC001320510730 1055851294 /nfs/dbraw/zinc/85/12/94/1055851294.db2.gz XSZSOCBHSAFPJH-UHFFFAOYSA-N 2 1 398.639 3.915 20 10 GHCDMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(N2CCCC2)cc1 ZINC001320510730 1055851304 /nfs/dbraw/zinc/85/13/04/1055851304.db2.gz XSZSOCBHSAFPJH-UHFFFAOYSA-N 3 1 398.639 3.915 20 10 GHCDMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(N2CCCC2)cc1 ZINC001320510730 1055851312 /nfs/dbraw/zinc/85/13/12/1055851312.db2.gz XSZSOCBHSAFPJH-UHFFFAOYSA-N 3 1 398.639 3.915 20 10 GHCDMP Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(N3CCN(C)CC3)c(F)c1)CCC2 ZINC001323309150 1056951364 /nfs/dbraw/zinc/95/13/64/1056951364.db2.gz FYBLBUMOKFAQIL-HXUWFJFHSA-N 2 1 388.556 3.852 20 10 GHCDMP Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(N3CC[NH+](C)CC3)c(F)c1)CCC2 ZINC001323309150 1056951370 /nfs/dbraw/zinc/95/13/70/1056951370.db2.gz FYBLBUMOKFAQIL-HXUWFJFHSA-N 2 1 388.556 3.852 20 10 GHCDMP COc1cc(Br)cc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1O ZINC000848526441 1057148874 /nfs/dbraw/zinc/14/88/74/1057148874.db2.gz XNPJSJWXNJJRMA-LBPRGKRZSA-N 2 1 383.330 3.831 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3csc(Br)c3)cc2F)CC1 ZINC001473991218 1074228277 /nfs/dbraw/zinc/22/82/77/1074228277.db2.gz DBPXBXYCYPAZEH-UHFFFAOYSA-N 2 1 398.345 3.691 20 10 GHCDMP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000248491056 845342492 /nfs/dbraw/zinc/34/24/92/845342492.db2.gz IMROEIBPLYBQHL-FGTMMUONSA-N 2 1 384.520 3.861 20 10 GHCDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000764464163 859457823 /nfs/dbraw/zinc/45/78/23/859457823.db2.gz MCWIJHDWWBDPCR-GHTZIAJQSA-N 2 1 386.609 3.844 20 10 GHCDMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(N(C)C)cc3)C2)ccn1 ZINC000856560276 881440412 /nfs/dbraw/zinc/44/04/12/881440412.db2.gz GUTCXBWPWKHHRG-HSZRJFAPSA-N 2 1 382.552 3.641 20 10 GHCDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3)C2)ccn1 ZINC000856560276 881440414 /nfs/dbraw/zinc/44/04/14/881440414.db2.gz GUTCXBWPWKHHRG-HSZRJFAPSA-N 2 1 382.552 3.641 20 10 GHCDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)ccn1 ZINC000856560276 881440419 /nfs/dbraw/zinc/44/04/19/881440419.db2.gz GUTCXBWPWKHHRG-HSZRJFAPSA-N 2 1 382.552 3.641 20 10 GHCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C1)OCO2 ZINC000765103497 859789047 /nfs/dbraw/zinc/78/90/47/859789047.db2.gz FZWXTRSJVANYGZ-UYAOXDASSA-N 2 1 380.488 3.607 20 10 GHCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C1)OCO2 ZINC000765103497 859789055 /nfs/dbraw/zinc/78/90/55/859789055.db2.gz FZWXTRSJVANYGZ-UYAOXDASSA-N 2 1 380.488 3.607 20 10 GHCDMP Oc1cc2c(cc1C[NH+]1CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C1)OCO2 ZINC000765103497 859789064 /nfs/dbraw/zinc/78/90/64/859789064.db2.gz FZWXTRSJVANYGZ-UYAOXDASSA-N 2 1 380.488 3.607 20 10 GHCDMP Oc1cc2c(cc1C[NH+]1CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C1)OCO2 ZINC000765103497 859789071 /nfs/dbraw/zinc/78/90/71/859789071.db2.gz FZWXTRSJVANYGZ-UYAOXDASSA-N 2 1 380.488 3.607 20 10 GHCDMP COc1cccc(C(C)(C)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001201618577 875794607 /nfs/dbraw/zinc/79/46/07/875794607.db2.gz QLDMLPGWXGWAGG-UHFFFAOYSA-N 2 1 385.527 3.654 20 10 GHCDMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cn1cccn1 ZINC001201946556 875948713 /nfs/dbraw/zinc/94/87/13/875948713.db2.gz GYEQHTRNSYDTRT-UYAOXDASSA-N 2 1 382.552 3.683 20 10 GHCDMP COCC[NH+](CCOC)C1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000809706617 887724976 /nfs/dbraw/zinc/72/49/76/887724976.db2.gz FIYNJOPZPRBJDR-UHFFFAOYSA-N 2 1 398.547 3.618 20 10 GHCDMP Oc1ccc(F)cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000816643609 894986970 /nfs/dbraw/zinc/98/69/70/894986970.db2.gz KMHCNONUJPYLKM-FQEVSTJZSA-N 2 1 384.495 3.550 20 10 GHCDMP Cc1cc(O)c(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1Cl ZINC000824895009 899864992 /nfs/dbraw/zinc/86/49/92/899864992.db2.gz ORMKKLMSZSVPSD-UHFFFAOYSA-N 2 1 394.003 3.982 20 10 GHCDMP COc1cc(O)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1OC ZINC000827620622 925842739 /nfs/dbraw/zinc/84/27/39/925842739.db2.gz HIWZRSRQBUTISB-HXUWFJFHSA-N 2 1 396.531 3.801 20 10 GHCDMP C[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798497869 932672255 /nfs/dbraw/zinc/67/22/55/932672255.db2.gz GNEPKHDTLCINRS-XMMPIXPASA-N 2 1 379.548 3.525 20 10 GHCDMP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001116585197 933647657 /nfs/dbraw/zinc/64/76/57/933647657.db2.gz SOCVDOYRGWHTEP-RXVVDRJESA-N 2 1 379.548 3.786 20 10 GHCDMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1)C1CCOCC1 ZINC000834562118 1021273914 /nfs/dbraw/zinc/27/39/14/1021273914.db2.gz CPTDJGSVGFQDJQ-QFIPXVFZSA-N 2 1 396.531 3.659 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3C[C@@H]3CCC[NH+]3C)cc2)CC1 ZINC001140306768 1021363013 /nfs/dbraw/zinc/36/30/13/1021363013.db2.gz XANNFCTVGFASRQ-BJKOFHAPSA-N 3 1 384.612 3.667 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@@H+]3C)cc2)CC1 ZINC001140306768 1021363031 /nfs/dbraw/zinc/36/30/31/1021363031.db2.gz XANNFCTVGFASRQ-BJKOFHAPSA-N 3 1 384.612 3.667 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[NH+]3CCCC[C@@H]3C[C@@H]3CCC[N@H+]3C)cc2)CC1 ZINC001140306768 1021363049 /nfs/dbraw/zinc/36/30/49/1021363049.db2.gz XANNFCTVGFASRQ-BJKOFHAPSA-N 3 1 384.612 3.667 20 10 GHCDMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(C)cc4O)CC3)C2)cc1 ZINC001140949495 1022969559 /nfs/dbraw/zinc/96/95/59/1022969559.db2.gz DAKLSENBRAHKDU-UHFFFAOYSA-N 2 1 380.532 3.876 20 10 GHCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2c1c(F)ccc2O ZINC000756434741 1023647568 /nfs/dbraw/zinc/64/75/68/1023647568.db2.gz OZLTWCLBHSCIKH-OXQOHEQNSA-N 2 1 383.511 3.617 20 10 GHCDMP Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)ccc1N(C)C ZINC001139671835 1026526377 /nfs/dbraw/zinc/52/63/77/1026526377.db2.gz OEGINVCIRMKHDM-UHFFFAOYSA-N 2 1 393.575 3.928 20 10 GHCDMP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001203610161 1027475564 /nfs/dbraw/zinc/47/55/64/1027475564.db2.gz XLNZUBJZYITTGV-BWAGFHJFSA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001203610161 1027475570 /nfs/dbraw/zinc/47/55/70/1027475570.db2.gz XLNZUBJZYITTGV-BWAGFHJFSA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001203610161 1027475579 /nfs/dbraw/zinc/47/55/79/1027475579.db2.gz XLNZUBJZYITTGV-BWAGFHJFSA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001203610161 1027475592 /nfs/dbraw/zinc/47/55/92/1027475592.db2.gz XLNZUBJZYITTGV-BWAGFHJFSA-N 2 1 395.547 3.918 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1Br ZINC001222167057 1029984149 /nfs/dbraw/zinc/98/41/49/1029984149.db2.gz HGCCHWLAMMHHKE-LJQANCHMSA-N 2 1 397.357 3.909 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1Br ZINC001222167057 1029984155 /nfs/dbraw/zinc/98/41/55/1029984155.db2.gz HGCCHWLAMMHHKE-LJQANCHMSA-N 2 1 397.357 3.909 20 10 GHCDMP COc1cc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)c(O)cc1O ZINC001231636765 1034795409 /nfs/dbraw/zinc/79/54/09/1034795409.db2.gz VVMRHZSYDNERKE-YDHSSHFGSA-N 2 1 382.504 3.717 20 10 GHCDMP COc1cc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)c(O)cc1O ZINC001231636765 1034795419 /nfs/dbraw/zinc/79/54/19/1034795419.db2.gz VVMRHZSYDNERKE-YDHSSHFGSA-N 2 1 382.504 3.717 20 10 GHCDMP COc1cc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)c(O)cc1O ZINC001231636765 1034795431 /nfs/dbraw/zinc/79/54/31/1034795431.db2.gz VVMRHZSYDNERKE-YDHSSHFGSA-N 2 1 382.504 3.717 20 10 GHCDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233745816 1039584695 /nfs/dbraw/zinc/58/46/95/1039584695.db2.gz OMDDWNRUOZBACQ-UHFFFAOYSA-N 2 1 381.398 3.733 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1Cl ZINC001235375126 1040887476 /nfs/dbraw/zinc/88/74/76/1040887476.db2.gz YXOQKSJTXRIHJH-XMSQKQJNSA-N 2 1 386.923 3.807 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1Cl ZINC001235375126 1040887489 /nfs/dbraw/zinc/88/74/89/1040887489.db2.gz YXOQKSJTXRIHJH-XMSQKQJNSA-N 2 1 386.923 3.807 20 10 GHCDMP COCCC[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C1CC[NH2+]CC1 ZINC001235938452 1041443712 /nfs/dbraw/zinc/44/37/12/1041443712.db2.gz WKSOONKLEKDWPV-UHFFFAOYSA-N 2 1 384.520 3.562 20 10 GHCDMP Clc1ccc(O[C@H]2CCC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001235975119 1041479234 /nfs/dbraw/zinc/47/92/34/1041479234.db2.gz WLMBFECTMPCPSF-QFIPXVFZSA-N 2 1 385.939 3.793 20 10 GHCDMP CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236238042 1041638534 /nfs/dbraw/zinc/63/85/34/1041638534.db2.gz XWNZCWZJZKUWOG-BVSLBCMMSA-N 2 1 399.579 3.571 20 10 GHCDMP Clc1cc(N2CCOCC2)ccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374237 1041685958 /nfs/dbraw/zinc/68/59/58/1041685958.db2.gz BQVRWKSMIPKLBB-SFHVURJKSA-N 2 1 391.987 3.921 20 10 GHCDMP COc1ccc(C[N@@H+](Cc2c(C)cc(OC)cc2O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545343 1041758927 /nfs/dbraw/zinc/75/89/27/1041758927.db2.gz OJTDOZVKTQZPFR-WGSAOQKQSA-N 2 1 384.520 3.990 20 10 GHCDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237052762 1042010747 /nfs/dbraw/zinc/01/07/47/1042010747.db2.gz UTBVEOOCNYUMCN-UHFFFAOYSA-N 2 1 395.425 3.776 20 10 GHCDMP CCOC(=O)c1ccc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC001257154853 1043903691 /nfs/dbraw/zinc/90/36/91/1043903691.db2.gz VPLUTNYXCNXWKW-GOSISDBHSA-N 2 1 396.531 3.754 20 10 GHCDMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3c(O)cccc3F)C[C@H]2CC1 ZINC001279421700 1047800144 /nfs/dbraw/zinc/80/01/44/1047800144.db2.gz NKLXCOMEFCQKRP-IYBDPMFKSA-N 2 1 375.513 3.640 20 10 GHCDMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3c(O)cccc3F)C[C@H]2CC1 ZINC001279421700 1047800154 /nfs/dbraw/zinc/80/01/54/1047800154.db2.gz NKLXCOMEFCQKRP-IYBDPMFKSA-N 2 1 375.513 3.640 20 10 GHCDMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3c(O)cccc3F)C[C@H]2CC1 ZINC001279421700 1047800165 /nfs/dbraw/zinc/80/01/65/1047800165.db2.gz NKLXCOMEFCQKRP-IYBDPMFKSA-N 2 1 375.513 3.640 20 10 GHCDMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3c(O)cccc3F)C[C@H]2CC1 ZINC001279421700 1047800176 /nfs/dbraw/zinc/80/01/76/1047800176.db2.gz NKLXCOMEFCQKRP-IYBDPMFKSA-N 2 1 375.513 3.640 20 10 GHCDMP Oc1cc(Cl)c(Cl)cc1C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279663757 1047904061 /nfs/dbraw/zinc/90/40/61/1047904061.db2.gz DLBXVJTVTGWGSB-UHFFFAOYSA-N 2 1 395.334 3.910 20 10 GHCDMP Oc1cc(Cl)c(Cl)cc1C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279663757 1047904064 /nfs/dbraw/zinc/90/40/64/1047904064.db2.gz DLBXVJTVTGWGSB-UHFFFAOYSA-N 2 1 395.334 3.910 20 10 GHCDMP CCC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H](O)c1ccccc1 ZINC001344379820 1054403495 /nfs/dbraw/zinc/40/34/95/1054403495.db2.gz DHJPGCREWITSNG-GGAORHGYSA-N 2 1 385.527 3.569 20 10 GHCDMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001200704849 1056772868 /nfs/dbraw/zinc/77/28/68/1056772868.db2.gz WSZDDWBCNYOZLK-NOZRDPDXSA-N 2 1 393.575 3.650 20 10 GHCDMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001200704849 1056772876 /nfs/dbraw/zinc/77/28/76/1056772876.db2.gz WSZDDWBCNYOZLK-NOZRDPDXSA-N 2 1 393.575 3.650 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC3)OCc3ccccc34)cc2F)CC1 ZINC001323324533 1056953394 /nfs/dbraw/zinc/95/33/94/1056953394.db2.gz XDKQMJLDDABNEN-UHFFFAOYSA-N 2 1 395.522 3.599 20 10 GHCDMP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1O ZINC000848525694 1057149474 /nfs/dbraw/zinc/14/94/74/1057149474.db2.gz SJBARTDVCNHICR-VXGBXAGGSA-N 2 1 382.302 3.655 20 10 GHCDMP C[NH+](C)Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1Cl ZINC001326831944 1057564473 /nfs/dbraw/zinc/56/44/73/1057564473.db2.gz MKFOPZKPOUCSKF-UHFFFAOYSA-N 2 1 390.934 3.905 20 10 GHCDMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000195137304 840412460 /nfs/dbraw/zinc/41/24/60/840412460.db2.gz OPZCTEJQGKNTGX-CTNGQTDRSA-N 2 1 397.538 3.835 20 10 GHCDMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000195137292 840412947 /nfs/dbraw/zinc/41/29/47/840412947.db2.gz OPZCTEJQGKNTGX-FPOVZHCZSA-N 2 1 397.538 3.835 20 10 GHCDMP CC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000764463046 859457830 /nfs/dbraw/zinc/45/78/30/859457830.db2.gz IOJFMODZCSRXDT-LEWJYISDSA-N 2 1 386.609 3.844 20 10 GHCDMP CCC[N@H+](Cc1cc(OC)ccc1O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000775699491 872952531 /nfs/dbraw/zinc/95/25/31/872952531.db2.gz FXOTUIZPMFUPCM-UHFFFAOYSA-N 2 1 384.524 3.689 20 10 GHCDMP CCC[N@@H+](Cc1cc(OC)ccc1O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000775699491 872952548 /nfs/dbraw/zinc/95/25/48/872952548.db2.gz FXOTUIZPMFUPCM-UHFFFAOYSA-N 2 1 384.524 3.689 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C(=O)c4ccc(F)cc4)C3)cc2)CC1 ZINC000775715202 873093339 /nfs/dbraw/zinc/09/33/39/873093339.db2.gz UJPZHLUPRFHIIR-NRFANRHFSA-N 2 1 395.522 3.672 20 10 GHCDMP COc1cc(O)c(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000776251991 876030496 /nfs/dbraw/zinc/03/04/96/876030496.db2.gz HVRIGPABYBQRNA-MJGOQNOKSA-N 2 1 384.520 3.800 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000850487509 876962509 /nfs/dbraw/zinc/96/25/09/876962509.db2.gz HLWYBWDLXZAPLQ-NNWRFLSQSA-N 2 1 379.548 3.774 20 10 GHCDMP COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1O ZINC000853241015 878924243 /nfs/dbraw/zinc/92/42/43/878924243.db2.gz RRQAHCBZIRJTJQ-ZFWWWQNUSA-N 2 1 397.357 3.936 20 10 GHCDMP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000126662751 893769192 /nfs/dbraw/zinc/76/91/92/893769192.db2.gz SDFRDNUIGHQYIZ-HXUWFJFHSA-N 2 1 380.580 3.741 20 10 GHCDMP CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000817939191 895968489 /nfs/dbraw/zinc/96/84/89/895968489.db2.gz AHTVCKFXLQGHPE-IGABQKFOSA-N 2 1 378.564 3.538 20 10 GHCDMP Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000817983976 895994152 /nfs/dbraw/zinc/99/41/52/895994152.db2.gz SWXDIWHNMHBPCT-IWAAJCSBSA-N 2 1 393.575 3.872 20 10 GHCDMP C[C@H]1C[C@@H](NC2CC[NH+](Cc3ccccc3O)CC2)C[N@H+]1Cc1ccccc1 ZINC001171733101 904961520 /nfs/dbraw/zinc/96/15/20/904961520.db2.gz IIXOFNKPTUAZOX-WMZHIEFXSA-N 2 1 379.548 3.609 20 10 GHCDMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccccc1O ZINC000183487989 907399382 /nfs/dbraw/zinc/39/93/82/907399382.db2.gz QRLJVZMEEUUOMY-SFHVURJKSA-N 2 1 384.520 3.733 20 10 GHCDMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc(Br)cc2O)[C@H](c2ccccc2)C1 ZINC001182544586 911865209 /nfs/dbraw/zinc/86/52/09/911865209.db2.gz QWEQZGNVDMIDHX-AEFFLSMTSA-N 2 1 375.310 3.590 20 10 GHCDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000751146484 928048995 /nfs/dbraw/zinc/04/89/95/928048995.db2.gz HMKMMVSXFRPWFY-REWPJTCUSA-N 2 1 379.548 3.666 20 10 GHCDMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)CC1 ZINC000757278370 929684881 /nfs/dbraw/zinc/68/48/81/929684881.db2.gz VCYZXEXLOQHPHM-LJQANCHMSA-N 2 1 395.547 3.556 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(Nc4ccccc4)CC3)cc2F)CC1 ZINC001116439867 933558464 /nfs/dbraw/zinc/55/84/64/933558464.db2.gz BPTSLEOOPCTQPY-UHFFFAOYSA-N 2 1 382.527 3.654 20 10 GHCDMP C[NH+](C)/C=C/c1cc(N(CC[NH3+])c2cccc3ccccc32)ncc1[N+](=O)[O-] ZINC001154685897 1032236671 /nfs/dbraw/zinc/23/66/71/1032236671.db2.gz AVDHWOKSRDCFKZ-ZRDIBKRKSA-N 2 1 377.448 3.772 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)cc2)CC1 ZINC001140304099 1021354844 /nfs/dbraw/zinc/35/48/44/1021354844.db2.gz HZOKCLUUXUYDEL-QHCPKHFHSA-N 3 1 384.612 3.669 20 10 GHCDMP CC[NH+]1CCN(c2ccc(CN3CCCC[C@H]3CC[NH+]3CCCC3)cc2)CC1 ZINC001140304099 1021354860 /nfs/dbraw/zinc/35/48/60/1021354860.db2.gz HZOKCLUUXUYDEL-QHCPKHFHSA-N 2 1 384.612 3.669 20 10 GHCDMP CCCc1noc([C@@H]2CCC[N@@H+](Cc3ccc(N4CC[NH+](CC)CC4)cc3)C2)n1 ZINC001140305507 1021360002 /nfs/dbraw/zinc/36/00/02/1021360002.db2.gz ACVZAIHAYNYRGE-HXUWFJFHSA-N 2 1 397.567 3.544 20 10 GHCDMP Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CC13CCOCC3)CC2 ZINC000834811026 1021506430 /nfs/dbraw/zinc/50/64/30/1021506430.db2.gz LWBVGBDHFHOJIN-YADHBBJMSA-N 2 1 392.543 3.898 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](Cc3cccnc3)C3CCCC3)cc2F)CC1 ZINC001203452264 1027348492 /nfs/dbraw/zinc/34/84/92/1027348492.db2.gz HWSDNMKSOHZXAK-QHCPKHFHSA-N 2 1 396.554 3.864 20 10 GHCDMP COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001203674855 1027524964 /nfs/dbraw/zinc/52/49/64/1027524964.db2.gz DIHHJDLQCKLXDD-HSQYWUDLSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001203674855 1027524978 /nfs/dbraw/zinc/52/49/78/1027524978.db2.gz DIHHJDLQCKLXDD-HSQYWUDLSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(O)c(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001203674855 1027524990 /nfs/dbraw/zinc/52/49/90/1027524990.db2.gz DIHHJDLQCKLXDD-HSQYWUDLSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(O)c(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001203674855 1027525002 /nfs/dbraw/zinc/52/50/02/1027525002.db2.gz DIHHJDLQCKLXDD-HSQYWUDLSA-N 2 1 381.520 3.528 20 10 GHCDMP Oc1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001222148977 1029978902 /nfs/dbraw/zinc/97/89/02/1029978902.db2.gz SWTKUHRWODZGLJ-IBGZPJMESA-N 2 1 375.310 3.883 20 10 GHCDMP COC(=O)c1c(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c2ccccc2n1C ZINC001222167855 1029986005 /nfs/dbraw/zinc/98/60/05/1029986005.db2.gz TVCTWCPJZWHLKV-QHCPKHFHSA-N 2 1 383.536 3.711 20 10 GHCDMP COC(=O)c1c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c2ccccc2n1C ZINC001222167855 1029986012 /nfs/dbraw/zinc/98/60/12/1029986012.db2.gz TVCTWCPJZWHLKV-QHCPKHFHSA-N 2 1 383.536 3.711 20 10 GHCDMP Oc1c(F)cccc1C[N@@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222582615 1030210116 /nfs/dbraw/zinc/21/01/16/1030210116.db2.gz DZWZURNPZDWXPD-HXUWFJFHSA-N 2 1 384.495 3.835 20 10 GHCDMP Oc1c(F)cccc1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222582615 1030210138 /nfs/dbraw/zinc/21/01/38/1030210138.db2.gz DZWZURNPZDWXPD-HXUWFJFHSA-N 2 1 384.495 3.835 20 10 GHCDMP Oc1ccc(F)cc1C[N@H+]1[C@@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222584787 1030214007 /nfs/dbraw/zinc/21/40/07/1030214007.db2.gz XCBANYJPMQZPLO-OAQYLSRUSA-N 2 1 384.495 3.835 20 10 GHCDMP CCN(CC)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(OC)c1 ZINC001222602240 1030227147 /nfs/dbraw/zinc/22/71/47/1030227147.db2.gz LHCJNVIVBCYQEU-QFIPXVFZSA-N 2 1 379.548 3.730 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(OC)c1 ZINC001222602240 1030227158 /nfs/dbraw/zinc/22/71/58/1030227158.db2.gz LHCJNVIVBCYQEU-QFIPXVFZSA-N 2 1 379.548 3.730 20 10 GHCDMP C[C@@H]1C[C@H]([NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)CC[NH2+]1 ZINC001247006955 1037833413 /nfs/dbraw/zinc/83/34/13/1037833413.db2.gz VXQPFYHZZMQSHC-YLJYHZDGSA-N 2 1 376.504 3.757 20 10 GHCDMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(Cl)cc3O)C2)ccn1 ZINC001462456273 1070265424 /nfs/dbraw/zinc/26/54/24/1070265424.db2.gz ACYAHAANLUIVQF-HXUWFJFHSA-N 2 1 389.927 3.934 20 10 GHCDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)ccn1 ZINC001462456273 1070265438 /nfs/dbraw/zinc/26/54/38/1070265438.db2.gz ACYAHAANLUIVQF-HXUWFJFHSA-N 2 1 389.927 3.934 20 10 GHCDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3O)C2)ccn1 ZINC001462456273 1070265454 /nfs/dbraw/zinc/26/54/54/1070265454.db2.gz ACYAHAANLUIVQF-HXUWFJFHSA-N 2 1 389.927 3.934 20 10 GHCDMP Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235357959 1040840925 /nfs/dbraw/zinc/84/09/25/1040840925.db2.gz HPKPCIZGMUZNIZ-YLJYHZDGSA-N 2 1 392.421 3.870 20 10 GHCDMP Oc1cccc(OC(F)(F)F)c1C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235357959 1040840935 /nfs/dbraw/zinc/84/09/35/1040840935.db2.gz HPKPCIZGMUZNIZ-YLJYHZDGSA-N 2 1 392.421 3.870 20 10 GHCDMP CCC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H](C)C(=O)Nc1ccccc1C ZINC001236089923 1041527628 /nfs/dbraw/zinc/52/76/28/1041527628.db2.gz ZHSWGXNVLANOTE-HXUWFJFHSA-N 2 1 394.563 3.644 20 10 GHCDMP COc1cc(C)c(C[N@H+](Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)c(O)c1 ZINC001236517962 1041750685 /nfs/dbraw/zinc/75/06/85/1041750685.db2.gz NYGLHUYTZSULGA-UHFFFAOYSA-N 2 1 388.483 3.611 20 10 GHCDMP COc1cc(C)c(C[N@@H+](Cc2ccc(OC)c(F)c2)C2CC[NH2+]CC2)c(O)c1 ZINC001236517962 1041750690 /nfs/dbraw/zinc/75/06/90/1041750690.db2.gz NYGLHUYTZSULGA-UHFFFAOYSA-N 2 1 388.483 3.611 20 10 GHCDMP COc1ccc(C[N@@H+](Cc2ccc3c(c2)OCCN3C)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544182 1041757262 /nfs/dbraw/zinc/75/72/62/1041757262.db2.gz FQIXXTGNAGRWKY-MEMLXQNLSA-N 2 1 395.547 3.796 20 10 GHCDMP COc1cc(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c(O)cc1Br ZINC001236554777 1041760693 /nfs/dbraw/zinc/76/06/93/1041760693.db2.gz VIKMYRPWEMUNGP-SHTZXODSSA-N 2 1 385.346 3.891 20 10 GHCDMP COc1ccccc1C[N@@H+](Cc1ccc2c(c1)OCCN2C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236710746 1041846881 /nfs/dbraw/zinc/84/68/81/1041846881.db2.gz UZYVYYVGGWHERY-MEMLXQNLSA-N 2 1 395.547 3.796 20 10 GHCDMP Oc1cc2ccccc2cc1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001236829231 1041920149 /nfs/dbraw/zinc/92/01/49/1041920149.db2.gz GXUKWDNFSYBMSQ-UHFFFAOYSA-N 2 1 390.531 3.786 20 10 GHCDMP Clc1ccc2c(c1)[C@@H]1C[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)CC[C@H]1N2 ZINC001237251098 1042107819 /nfs/dbraw/zinc/10/78/19/1042107819.db2.gz VPCXVLACWQYDNX-RBBKRZOGSA-N 2 1 382.939 3.533 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCC4(CCCCC4)O3)cc2F)CC1 ZINC001321841709 1056415715 /nfs/dbraw/zinc/41/57/15/1056415715.db2.gz OLIKQSAIJXPZCQ-IBGZPJMESA-N 2 1 375.532 3.549 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCC4(CCCCC4)O3)cc2F)CC1 ZINC001321841711 1056416151 /nfs/dbraw/zinc/41/61/51/1056416151.db2.gz OLIKQSAIJXPZCQ-LJQANCHMSA-N 2 1 375.532 3.549 20 10 GHCDMP CO[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccc(Cl)cc1 ZINC001322090041 1056513159 /nfs/dbraw/zinc/51/31/59/1056513159.db2.gz SLXOFQDALAWMPS-OAQYLSRUSA-N 2 1 391.918 3.708 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1cccc(-n2cccn2)c1 ZINC001474025268 1074239767 /nfs/dbraw/zinc/23/97/67/1074239767.db2.gz QRCCTXPIJDSQBO-SFHVURJKSA-N 2 1 393.510 3.614 20 10 GHCDMP CC(=O)c1cc(F)cc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1O ZINC000179397531 835678315 /nfs/dbraw/zinc/67/83/15/835678315.db2.gz GBVGVQYPZAQNQN-UHFFFAOYSA-N 2 1 385.483 3.867 20 10 GHCDMP CC(=O)c1cc(F)cc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1O ZINC000179397531 835678318 /nfs/dbraw/zinc/67/83/18/835678318.db2.gz GBVGVQYPZAQNQN-UHFFFAOYSA-N 2 1 385.483 3.867 20 10 GHCDMP C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C[NH+]1CCCCC1 ZINC000765237901 859852068 /nfs/dbraw/zinc/85/20/68/859852068.db2.gz KJIDJHSPEUJZMH-MSOLQXFVSA-N 2 1 379.976 3.949 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCn4cccc4[C@H]3c3ccccc3)cc2)CC1 ZINC000775650118 872351161 /nfs/dbraw/zinc/35/11/61/872351161.db2.gz QSJBYCGSGFZBMX-RUZDIDTESA-N 2 1 386.543 3.845 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCn4cccc4[C@H]3c3ccccc3)cc2)CC1 ZINC000775650118 872351178 /nfs/dbraw/zinc/35/11/78/872351178.db2.gz QSJBYCGSGFZBMX-RUZDIDTESA-N 2 1 386.543 3.845 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3C[C@H](O)c3cccs3)cc2)CC1 ZINC000775736870 873289463 /nfs/dbraw/zinc/28/94/63/873289463.db2.gz YOPOLBCTLHHCLY-SFTDATJTSA-N 2 1 385.577 3.588 20 10 GHCDMP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001201880888 875920282 /nfs/dbraw/zinc/92/02/82/875920282.db2.gz GPKPJWZXXOGXGL-INIZCTEOSA-N 2 1 387.547 3.688 20 10 GHCDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566389 877033072 /nfs/dbraw/zinc/03/30/72/877033072.db2.gz NAXMBOBLOKCZIK-NBGIEHNGSA-N 2 1 393.575 3.648 20 10 GHCDMP Oc1ccc2ccc(O)c(C[N@H+]3CC[C@H]4C[C@H]4C3)c2c1C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000853576408 879133335 /nfs/dbraw/zinc/13/33/35/879133335.db2.gz DKNDBJOTGRINPF-QGFMHUBQSA-N 2 1 378.516 3.935 20 10 GHCDMP Oc1ccc2ccc(O)c(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)c2c1C[NH+]1CC[C@H]2C[C@H]2C1 ZINC000853576408 879133344 /nfs/dbraw/zinc/13/33/44/879133344.db2.gz DKNDBJOTGRINPF-QGFMHUBQSA-N 2 1 378.516 3.935 20 10 GHCDMP Oc1ccc2ccc(O)c(C[N@H+]3CC[C@@H]4C[C@@H]4C3)c2c1C[NH+]1CC[C@H]2C[C@H]2C1 ZINC000853576408 879133351 /nfs/dbraw/zinc/13/33/51/879133351.db2.gz DKNDBJOTGRINPF-QGFMHUBQSA-N 2 1 378.516 3.935 20 10 GHCDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762648123 886615737 /nfs/dbraw/zinc/61/57/37/886615737.db2.gz HQBDDKJEQMYAGV-RBUKOAKNSA-N 2 1 377.548 3.968 20 10 GHCDMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@@H]1C(F)(F)F ZINC000863645507 887259915 /nfs/dbraw/zinc/25/99/15/887259915.db2.gz IZPCJIKDEUWQOK-HKUYNNGSSA-N 2 1 394.437 3.930 20 10 GHCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@@H]1C(F)(F)F ZINC000863645507 887259931 /nfs/dbraw/zinc/25/99/31/887259931.db2.gz IZPCJIKDEUWQOK-HKUYNNGSSA-N 2 1 394.437 3.930 20 10 GHCDMP CCN(Cc1ccccc1)c1ccc(C[N@@H+](CCO)C2CCN(C)CC2)cc1 ZINC000155498683 898835133 /nfs/dbraw/zinc/83/51/33/898835133.db2.gz WEWCUXRNOYOIGL-UHFFFAOYSA-N 2 1 381.564 3.602 20 10 GHCDMP CCN(Cc1ccccc1)c1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000155498683 898835144 /nfs/dbraw/zinc/83/51/44/898835144.db2.gz WEWCUXRNOYOIGL-UHFFFAOYSA-N 2 1 381.564 3.602 20 10 GHCDMP CCN(Cc1ccccc1)c1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1 ZINC000155498683 898835150 /nfs/dbraw/zinc/83/51/50/898835150.db2.gz WEWCUXRNOYOIGL-UHFFFAOYSA-N 2 1 381.564 3.602 20 10 GHCDMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1O ZINC000186127543 907881975 /nfs/dbraw/zinc/88/19/75/907881975.db2.gz HUEMPHHAWNGZQF-VHSSKADRSA-N 2 1 397.357 3.573 20 10 GHCDMP CCC1(CC)[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H](C)[C@@H]1OC ZINC001178356328 909030133 /nfs/dbraw/zinc/03/01/33/909030133.db2.gz OGDORNUELRQZEW-DQLDELGASA-N 2 1 377.548 3.507 20 10 GHCDMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)c1 ZINC001116565086 933637018 /nfs/dbraw/zinc/63/70/18/933637018.db2.gz HKBPXRHNTWSSLY-NQIIRXRSSA-N 2 1 398.547 3.996 20 10 GHCDMP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001116585195 933648017 /nfs/dbraw/zinc/64/80/17/933648017.db2.gz SOCVDOYRGWHTEP-GHTZIAJQSA-N 2 1 379.548 3.786 20 10 GHCDMP Oc1cc(Cl)ccc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001140465095 1021758808 /nfs/dbraw/zinc/75/88/08/1021758808.db2.gz IACPTZPZABHJOZ-UHFFFAOYSA-N 2 1 386.923 3.913 20 10 GHCDMP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(O)c1 ZINC001140950386 1022972146 /nfs/dbraw/zinc/97/21/46/1022972146.db2.gz RMIZYMMQYDAGBB-QFIPXVFZSA-N 2 1 380.532 3.956 20 10 GHCDMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cc(Cl)ccc1O ZINC000756344339 1023598144 /nfs/dbraw/zinc/59/81/44/1023598144.db2.gz QBUHCGQWELXINT-RHSMWYFYSA-N 2 1 379.957 3.746 20 10 GHCDMP COC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2cc(C[NH+](C)C)c(O)c(OC)c2)cc1 ZINC001139259793 1026110089 /nfs/dbraw/zinc/11/00/89/1026110089.db2.gz BMSISVVDORJPDC-HXUWFJFHSA-N 2 1 398.503 3.586 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@](C)(c4ccc(Cl)cc4)C3)cc2)CC1 ZINC001139412105 1026283279 /nfs/dbraw/zinc/28/32/79/1026283279.db2.gz FCRPWSJUQJBHTJ-HSZRJFAPSA-N 2 1 399.966 3.839 20 10 GHCDMP COc1ccc(N2CC[NH+](CCCNc3[nH+]cc(C)c4cc[nH]c43)CC2)cc1 ZINC001164330281 1026488289 /nfs/dbraw/zinc/48/82/89/1026488289.db2.gz PFIHEGPPLUCNSA-UHFFFAOYSA-N 2 1 379.508 3.504 20 10 GHCDMP CC(C)(C)c1cc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(O)c(C(C)(C)C)c1 ZINC000841099678 1028135038 /nfs/dbraw/zinc/13/50/38/1028135038.db2.gz NJWBJMGUTUKCGP-IBGZPJMESA-N 2 1 399.583 3.875 20 10 GHCDMP CCN(Cc1ccccc1)c1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000843124770 1029816761 /nfs/dbraw/zinc/81/67/61/1029816761.db2.gz GLPQHPOWZGZNRX-QHCPKHFHSA-N 2 1 393.575 3.900 20 10 GHCDMP COC(=O)c1c(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c2ccccc2n1C ZINC001222167854 1029985506 /nfs/dbraw/zinc/98/55/06/1029985506.db2.gz TVCTWCPJZWHLKV-HSZRJFAPSA-N 2 1 383.536 3.711 20 10 GHCDMP COC(=O)c1c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c2ccccc2n1C ZINC001222167854 1029985516 /nfs/dbraw/zinc/98/55/16/1029985516.db2.gz TVCTWCPJZWHLKV-HSZRJFAPSA-N 2 1 383.536 3.711 20 10 GHCDMP Cc1c(O)ccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1O ZINC001222582776 1030210182 /nfs/dbraw/zinc/21/01/82/1030210182.db2.gz GKEIGENOMFNOAT-NRFANRHFSA-N 2 1 396.531 3.710 20 10 GHCDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252950412 1039294501 /nfs/dbraw/zinc/29/45/01/1039294501.db2.gz BDBHJHVCMHRGHM-ZCYQVOJMSA-N 2 1 394.559 3.859 20 10 GHCDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950412 1039294513 /nfs/dbraw/zinc/29/45/13/1039294513.db2.gz BDBHJHVCMHRGHM-ZCYQVOJMSA-N 2 1 394.559 3.859 20 10 GHCDMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001233484303 1039382130 /nfs/dbraw/zinc/38/21/30/1039382130.db2.gz GBWSZHVXRBUJCN-BMGDILEWSA-N 2 1 388.533 3.597 20 10 GHCDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001233484303 1039382143 /nfs/dbraw/zinc/38/21/43/1039382143.db2.gz GBWSZHVXRBUJCN-BMGDILEWSA-N 2 1 388.533 3.597 20 10 GHCDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001233484303 1039382159 /nfs/dbraw/zinc/38/21/59/1039382159.db2.gz GBWSZHVXRBUJCN-BMGDILEWSA-N 2 1 388.533 3.597 20 10 GHCDMP COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001253975929 1039932108 /nfs/dbraw/zinc/93/21/08/1039932108.db2.gz ITTSDAGORXDIPA-JOCHJYFZSA-N 2 1 383.511 3.923 20 10 GHCDMP COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001253975929 1039932114 /nfs/dbraw/zinc/93/21/14/1039932114.db2.gz ITTSDAGORXDIPA-JOCHJYFZSA-N 2 1 383.511 3.923 20 10 GHCDMP C[N@@H+]1CCC[C@@H]([NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC001254533497 1040305355 /nfs/dbraw/zinc/30/53/55/1040305355.db2.gz LQDVZJVFJGXSMP-JOCHJYFZSA-N 2 1 379.548 3.872 20 10 GHCDMP C[N@H+]1CCC[C@@H]([NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)CC1 ZINC001254533497 1040305368 /nfs/dbraw/zinc/30/53/68/1040305368.db2.gz LQDVZJVFJGXSMP-JOCHJYFZSA-N 2 1 379.548 3.872 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(O)c1 ZINC001235366637 1040858659 /nfs/dbraw/zinc/85/86/59/1040858659.db2.gz DWWYPLDDKMUAQQ-DHLKQENFSA-N 2 1 393.575 3.992 20 10 GHCDMP c1ccc([C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccc(N4CC[NH2+]CC4)cc2)C3)cc1 ZINC001235532820 1040978097 /nfs/dbraw/zinc/97/80/97/1040978097.db2.gz OVTQSQGWWKIURR-ZCYQVOJMSA-N 2 1 391.559 3.635 20 10 GHCDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(C(C)(C)C)cc3O)C2)C1 ZINC001235682846 1041150766 /nfs/dbraw/zinc/15/07/66/1041150766.db2.gz QRACDSDRQNWECV-ZJSXRUAMSA-N 2 1 386.580 3.870 20 10 GHCDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(C(C)(C)C)cc3O)C2)C1 ZINC001235682846 1041150777 /nfs/dbraw/zinc/15/07/77/1041150777.db2.gz QRACDSDRQNWECV-ZJSXRUAMSA-N 2 1 386.580 3.870 20 10 GHCDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(C(C)(C)C)cc3O)C2)C1 ZINC001235682846 1041150787 /nfs/dbraw/zinc/15/07/87/1041150787.db2.gz QRACDSDRQNWECV-ZJSXRUAMSA-N 2 1 386.580 3.870 20 10 GHCDMP Fc1ccc(C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC2CC[NH2+]CC2)cc1 ZINC001236380703 1041690619 /nfs/dbraw/zinc/69/06/19/1041690619.db2.gz JDHDXKCEQKLSIA-UHFFFAOYSA-N 2 1 397.538 3.664 20 10 GHCDMP CC(C)(C)C[N@@H+](Cc1ccc(N2CCOCC2)cc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236766083 1041880043 /nfs/dbraw/zinc/88/00/43/1041880043.db2.gz DKFDVNAPXJXRJQ-WGSAOQKQSA-N 2 1 377.548 3.780 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C(=O)c4ccccc4)CC3)c(F)c2)CC1 ZINC001236933059 1041964353 /nfs/dbraw/zinc/96/43/53/1041964353.db2.gz UCRSUNJDVIDUFY-UHFFFAOYSA-N 2 1 395.522 3.672 20 10 GHCDMP CN1CCN(c2ccc(C[N@H+]3CCC34CCCC4)cc2Br)CC1 ZINC001237090186 1042031605 /nfs/dbraw/zinc/03/16/05/1042031605.db2.gz OCQIXPSCOXAVML-UHFFFAOYSA-N 2 1 378.358 3.719 20 10 GHCDMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(Cl)cc(C)c1O)C2 ZINC001237678318 1042319276 /nfs/dbraw/zinc/31/92/76/1042319276.db2.gz AGNDSNFRHVNYAB-RXVVDRJESA-N 2 1 378.944 3.534 20 10 GHCDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(Cl)cc(C)c1O)C2 ZINC001237678318 1042319280 /nfs/dbraw/zinc/31/92/80/1042319280.db2.gz AGNDSNFRHVNYAB-RXVVDRJESA-N 2 1 378.944 3.534 20 10 GHCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(Cl)cc(C)c1O)C2 ZINC001237678318 1042319284 /nfs/dbraw/zinc/31/92/84/1042319284.db2.gz AGNDSNFRHVNYAB-RXVVDRJESA-N 2 1 378.944 3.534 20 10 GHCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(Cl)cc(C)c1O)C2 ZINC001237678318 1042319288 /nfs/dbraw/zinc/31/92/88/1042319288.db2.gz AGNDSNFRHVNYAB-RXVVDRJESA-N 2 1 378.944 3.534 20 10 GHCDMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001308344207 1049954103 /nfs/dbraw/zinc/95/41/03/1049954103.db2.gz BVBIUBMQIJJPIY-RUZDIDTESA-N 2 1 393.575 3.923 20 10 GHCDMP COC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccc(Cl)cc1 ZINC001339330928 1050017174 /nfs/dbraw/zinc/01/71/74/1050017174.db2.gz ROVISFISIHUDHY-HXUWFJFHSA-N 2 1 391.918 3.708 20 10 GHCDMP CC(C)[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Nc1ccccc1 ZINC001318682268 1054794598 /nfs/dbraw/zinc/79/45/98/1054794598.db2.gz CFPJISIMWYPKLZ-QFIPXVFZSA-N 2 1 384.543 3.804 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCCOCc3ccccc3)cc2F)CC1 ZINC001473968451 1074221111 /nfs/dbraw/zinc/22/11/11/1074221111.db2.gz WLNVWTIJJCCASE-UHFFFAOYSA-N 2 1 385.527 3.664 20 10 GHCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC001474020747 1074238445 /nfs/dbraw/zinc/23/84/45/1074238445.db2.gz PVQWZRNSDXNUBJ-LADGPHEKSA-N 2 1 381.564 3.505 20 10 GHCDMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC001474020747 1074238451 /nfs/dbraw/zinc/23/84/51/1074238451.db2.gz PVQWZRNSDXNUBJ-LADGPHEKSA-N 2 1 381.564 3.505 20 10 GHCDMP CCOc1ccc(C[C@H](C)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001474170289 1074282179 /nfs/dbraw/zinc/28/21/79/1074282179.db2.gz PVJCNDUOVHCFOD-IBGZPJMESA-N 2 1 399.554 3.945 20 10 GHCDMP Cc1cc(O)c(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c(Cl)c1 ZINC001474515450 1074443762 /nfs/dbraw/zinc/44/37/62/1074443762.db2.gz UHXZFHVFDHLMNN-HXUWFJFHSA-N 2 1 399.966 3.746 20 10 GHCDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)cc2)CC1 ZINC000160311477 838169953 /nfs/dbraw/zinc/16/99/53/838169953.db2.gz UGQALLQGMDOSHE-HXUWFJFHSA-N 2 1 380.580 3.741 20 10 GHCDMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(C)cc(OC)c3O)CC2)cs1 ZINC000894261161 846397725 /nfs/dbraw/zinc/39/77/25/846397725.db2.gz HQVNIWLGMUAVJT-UHFFFAOYSA-N 2 1 389.565 3.730 20 10 GHCDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(N(C)C)cc3C)C2)ccn1 ZINC000856550468 881367045 /nfs/dbraw/zinc/36/70/45/881367045.db2.gz ZHNOQZVWCBBFEC-QHCPKHFHSA-N 2 1 382.552 3.561 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3C)C2)ccn1 ZINC000856550468 881367063 /nfs/dbraw/zinc/36/70/63/881367063.db2.gz ZHNOQZVWCBBFEC-QHCPKHFHSA-N 2 1 382.552 3.561 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3C)C2)ccn1 ZINC000856550468 881367076 /nfs/dbraw/zinc/36/70/76/881367076.db2.gz ZHNOQZVWCBBFEC-QHCPKHFHSA-N 2 1 382.552 3.561 20 10 GHCDMP COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000738273197 865512117 /nfs/dbraw/zinc/51/21/17/865512117.db2.gz XUMXYRJARAVBIT-SFHVURJKSA-N 2 1 382.504 3.782 20 10 GHCDMP C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775643031 872221633 /nfs/dbraw/zinc/22/16/33/872221633.db2.gz ROGOLAWBJRYFGE-UHFFFAOYSA-N 2 1 375.463 3.672 20 10 GHCDMP C[NH+](C)CCOc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000768162612 873124198 /nfs/dbraw/zinc/12/41/98/873124198.db2.gz RZCACEPSAXWDLK-QFIPXVFZSA-N 2 1 384.520 3.514 20 10 GHCDMP COc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)C2)cc1 ZINC000850346627 876837738 /nfs/dbraw/zinc/83/77/38/876837738.db2.gz IEVGGVVERXKAPE-JOCHJYFZSA-N 2 1 397.538 3.710 20 10 GHCDMP Oc1cc2c(cc1C[NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CC13CCC3)OCO2 ZINC000850401996 876883206 /nfs/dbraw/zinc/88/32/06/876883206.db2.gz CNQCPIHFHUBXLP-LJQANCHMSA-N 2 1 380.488 3.513 20 10 GHCDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809740092 887775491 /nfs/dbraw/zinc/77/54/91/887775491.db2.gz ZJGMPPWASALVLC-UHFFFAOYSA-N 3 1 380.580 3.522 20 10 GHCDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809740092 887775501 /nfs/dbraw/zinc/77/55/01/887775501.db2.gz ZJGMPPWASALVLC-UHFFFAOYSA-N 2 1 380.580 3.522 20 10 GHCDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809740092 887775519 /nfs/dbraw/zinc/77/55/19/887775519.db2.gz ZJGMPPWASALVLC-UHFFFAOYSA-N 2 1 380.580 3.522 20 10 GHCDMP COc1ccc(O)c(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1 ZINC000809766133 887806582 /nfs/dbraw/zinc/80/65/82/887806582.db2.gz VFXKXUWZCSYJFR-UHFFFAOYSA-N 2 1 399.535 3.518 20 10 GHCDMP COc1ccc(O)c(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1 ZINC000809766133 887806593 /nfs/dbraw/zinc/80/65/93/887806593.db2.gz VFXKXUWZCSYJFR-UHFFFAOYSA-N 2 1 399.535 3.518 20 10 GHCDMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000124343768 891410492 /nfs/dbraw/zinc/41/04/92/891410492.db2.gz PXDCAAQCROZOHC-IBGZPJMESA-N 2 1 390.591 3.740 20 10 GHCDMP Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000816550183 894919764 /nfs/dbraw/zinc/91/97/64/894919764.db2.gz KLMJNEIKHJDUBZ-UHFFFAOYSA-N 2 1 378.875 3.949 20 10 GHCDMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816566914 894948960 /nfs/dbraw/zinc/94/89/60/894948960.db2.gz LFUNPZXVCRJQQE-JOCHJYFZSA-N 2 1 376.500 3.792 20 10 GHCDMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144509957 902310664 /nfs/dbraw/zinc/31/06/64/902310664.db2.gz OJBIIPOFOQVEOW-UCLAIMLFSA-N 2 1 388.533 3.597 20 10 GHCDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144509957 902310679 /nfs/dbraw/zinc/31/06/79/902310679.db2.gz OJBIIPOFOQVEOW-UCLAIMLFSA-N 2 1 388.533 3.597 20 10 GHCDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144509957 902310692 /nfs/dbraw/zinc/31/06/92/902310692.db2.gz OJBIIPOFOQVEOW-UCLAIMLFSA-N 2 1 388.533 3.597 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]4O[C@H](c5ccccc5)C[C@@H]43)cc2)CC1 ZINC000846118755 902696688 /nfs/dbraw/zinc/69/66/88/902696688.db2.gz BDHBDPFJFDTFQT-SDHOMARFSA-N 2 1 391.559 3.933 20 10 GHCDMP Cc1cc(Br)cc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1O ZINC000779024675 903076829 /nfs/dbraw/zinc/07/68/29/903076829.db2.gz OEXVMXMSDBKVFA-RHSMWYFYSA-N 2 1 397.357 3.757 20 10 GHCDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001179339003 909497524 /nfs/dbraw/zinc/49/75/24/909497524.db2.gz QEBAQTRJNARJAC-NFBKMPQASA-N 2 1 393.575 3.505 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3CC(=O)OC(C)(C)C)cc2)CC1 ZINC001140306202 1021362271 /nfs/dbraw/zinc/36/22/71/1021362271.db2.gz OZAMCWXXEMSAQS-OAQYLSRUSA-N 2 1 387.568 3.525 20 10 GHCDMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cc(C)ccc4O)CC3)C2)c1 ZINC001140622221 1022095454 /nfs/dbraw/zinc/09/54/54/1022095454.db2.gz YHZLJYVENSUCDS-UHFFFAOYSA-N 2 1 396.531 3.576 20 10 GHCDMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc(C)ccc4O)CC3)C2)c1 ZINC001140622221 1022095471 /nfs/dbraw/zinc/09/54/71/1022095471.db2.gz YHZLJYVENSUCDS-UHFFFAOYSA-N 2 1 396.531 3.576 20 10 GHCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001204870028 1033133284 /nfs/dbraw/zinc/13/32/84/1033133284.db2.gz MRNUIXIGPFNWMK-UHFFFAOYSA-N 2 1 383.923 3.745 20 10 GHCDMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cc(Cl)ccc1O ZINC000756344342 1023598428 /nfs/dbraw/zinc/59/84/28/1023598428.db2.gz QBUHCGQWELXINT-WMLDXEAASA-N 2 1 379.957 3.746 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cc2c(cc1O)CCCC2 ZINC000756361041 1023604999 /nfs/dbraw/zinc/60/49/99/1023604999.db2.gz FOWQCGIKQYTJMU-SFHVURJKSA-N 2 1 380.532 3.954 20 10 GHCDMP Oc1c(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc2c3c1CCCN3CCC2 ZINC001138340974 1024702883 /nfs/dbraw/zinc/70/28/83/1024702883.db2.gz SEEYYUWFXZYHIE-UHFFFAOYSA-N 2 1 395.591 3.931 20 10 GHCDMP CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1NC[C@@]1(F)CCCC[NH2+]C1)N=[N+]=[N-] ZINC001162579217 1025805647 /nfs/dbraw/zinc/80/56/47/1025805647.db2.gz IDTAMZKHHFVESW-NXIIHZOPSA-N 2 1 390.463 3.806 20 10 GHCDMP COc1cc(C[N@@H+]2CCO[C@](C)(c3ccc(C)cc3)C2)cc(C[NH+](C)C)c1O ZINC001139257962 1026108439 /nfs/dbraw/zinc/10/84/39/1026108439.db2.gz JBBSFYMAIXVYOH-QHCPKHFHSA-N 2 1 384.520 3.518 20 10 GHCDMP COc1cc(C[N@H+]2CCO[C@](C)(c3ccc(C)cc3)C2)cc(C[NH+](C)C)c1O ZINC001139257962 1026108444 /nfs/dbraw/zinc/10/84/44/1026108444.db2.gz JBBSFYMAIXVYOH-QHCPKHFHSA-N 2 1 384.520 3.518 20 10 GHCDMP COC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2cc(C[NH+](C)C)c(O)c(OC)c2)cc1 ZINC001139259791 1026110393 /nfs/dbraw/zinc/11/03/93/1026110393.db2.gz BMSISVVDORJPDC-FQEVSTJZSA-N 2 1 398.503 3.586 20 10 GHCDMP Cc1cc(C[N@H+](Cc2ccccc2)Cc2ccc(N3CC[NH+](C)CC3)cc2)on1 ZINC001139410819 1026282115 /nfs/dbraw/zinc/28/21/15/1026282115.db2.gz GHGYXXSSLRUECN-UHFFFAOYSA-N 2 1 390.531 3.937 20 10 GHCDMP Cc1cc(C[N@@H+](Cc2ccccc2)Cc2ccc(N3CC[NH+](C)CC3)cc2)on1 ZINC001139410819 1026282124 /nfs/dbraw/zinc/28/21/24/1026282124.db2.gz GHGYXXSSLRUECN-UHFFFAOYSA-N 2 1 390.531 3.937 20 10 GHCDMP COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001203674857 1027525907 /nfs/dbraw/zinc/52/59/07/1027525907.db2.gz DIHHJDLQCKLXDD-MTNREXPMSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001203674857 1027525914 /nfs/dbraw/zinc/52/59/14/1027525914.db2.gz DIHHJDLQCKLXDD-MTNREXPMSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(O)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001203674857 1027525917 /nfs/dbraw/zinc/52/59/17/1027525917.db2.gz DIHHJDLQCKLXDD-MTNREXPMSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(O)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001203674857 1027525919 /nfs/dbraw/zinc/52/59/19/1027525919.db2.gz DIHHJDLQCKLXDD-MTNREXPMSA-N 2 1 381.520 3.528 20 10 GHCDMP Cc1cc(C)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c(O)c1 ZINC001231843841 1034937943 /nfs/dbraw/zinc/93/79/43/1034937943.db2.gz BTNMKZIZGKRADZ-UHFFFAOYSA-N 2 1 380.532 3.876 20 10 GHCDMP CC1(C)C[C@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001246173885 1037222839 /nfs/dbraw/zinc/22/28/39/1037222839.db2.gz NHSNHXLTPSBEJS-HSZRJFAPSA-N 3 1 392.591 3.629 20 10 GHCDMP CC1(C)C[C@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CCN1Cc1ccccc1 ZINC001246173885 1037222844 /nfs/dbraw/zinc/22/28/44/1037222844.db2.gz NHSNHXLTPSBEJS-HSZRJFAPSA-N 2 1 392.591 3.629 20 10 GHCDMP CC1(C)C[C@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001246173885 1037222860 /nfs/dbraw/zinc/22/28/60/1037222860.db2.gz NHSNHXLTPSBEJS-HSZRJFAPSA-N 2 1 392.591 3.629 20 10 GHCDMP CC1(C)C[C@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001246173885 1037222868 /nfs/dbraw/zinc/22/28/68/1037222868.db2.gz NHSNHXLTPSBEJS-HSZRJFAPSA-N 2 1 392.591 3.629 20 10 GHCDMP c1ccc2oc(-c3ccc(N4CC[NH+](C5C[C@H]6CC[C@@H](C5)[NH2+]6)CC4)cc3)nc2c1 ZINC001247004528 1037830039 /nfs/dbraw/zinc/83/00/39/1037830039.db2.gz QJICBGRMRGETEI-PMSBKCLSSA-N 2 1 388.515 3.900 20 10 GHCDMP COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001253313582 1039551500 /nfs/dbraw/zinc/55/15/00/1039551500.db2.gz ZPSBRAMEBYFXQH-JOCHJYFZSA-N 2 1 383.511 3.923 20 10 GHCDMP COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001253313582 1039551517 /nfs/dbraw/zinc/55/15/17/1039551517.db2.gz ZPSBRAMEBYFXQH-JOCHJYFZSA-N 2 1 383.511 3.923 20 10 GHCDMP CN(c1ccccc1)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001254033052 1039966610 /nfs/dbraw/zinc/96/66/10/1039966610.db2.gz HIZDQIACWUMWLG-UHFFFAOYSA-N 2 1 396.554 3.678 20 10 GHCDMP Oc1ccc(Br)cc1C[N@@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348203 1040824210 /nfs/dbraw/zinc/82/42/10/1040824210.db2.gz DBFNHLKBLKKYPC-UYAOXDASSA-N 2 1 387.321 3.734 20 10 GHCDMP Oc1ccc(Br)cc1C[N@H+]1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235348203 1040824236 /nfs/dbraw/zinc/82/42/36/1040824236.db2.gz DBFNHLKBLKKYPC-UYAOXDASSA-N 2 1 387.321 3.734 20 10 GHCDMP COc1cccc(C[C@H]2CCC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)c1 ZINC001236305504 1041666986 /nfs/dbraw/zinc/66/69/86/1041666986.db2.gz XZWODBICJHPZFA-JOCHJYFZSA-N 2 1 379.548 3.560 20 10 GHCDMP Oc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(O)cc1Br ZINC001236374216 1041685935 /nfs/dbraw/zinc/68/59/35/1041685935.db2.gz BNWPBTLBBNMSPI-ZDUSSCGKSA-N 2 1 383.330 3.605 20 10 GHCDMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)C2CCC2)CC1 ZINC001236576278 1041766852 /nfs/dbraw/zinc/76/68/52/1041766852.db2.gz GSPQLIPCHCBDJX-UAPYVXQJSA-N 2 1 377.960 3.801 20 10 GHCDMP Cc1cccc(C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236729412 1041861120 /nfs/dbraw/zinc/86/11/20/1041861120.db2.gz RZJDVJLWHKRYRC-ALOJWSFFSA-N 3 1 392.591 3.677 20 10 GHCDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001308202328 1049911359 /nfs/dbraw/zinc/91/13/59/1049911359.db2.gz BUNFPAPEEOWLEV-UHFFFAOYSA-N 2 1 392.591 3.714 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(Oc4ccccc4)CC3)cc2F)CC1 ZINC001335499476 1052116266 /nfs/dbraw/zinc/11/62/66/1052116266.db2.gz GNVQIDVFFHXZPC-UHFFFAOYSA-N 2 1 383.511 3.621 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3SCCc4ccccc43)cc2F)CC1 ZINC001319004213 1054985600 /nfs/dbraw/zinc/98/56/00/1054985600.db2.gz DKKXNTPCHIQENX-JOCHJYFZSA-N 2 1 385.552 3.698 20 10 GHCDMP COCCC1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCCCC1 ZINC001321387241 1056242707 /nfs/dbraw/zinc/24/27/07/1056242707.db2.gz QQFQSLCVOZACKW-UHFFFAOYSA-N 2 1 377.548 3.654 20 10 GHCDMP C[C@H](C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H](C)CO)c1ccccc1 ZINC001324044340 1057060208 /nfs/dbraw/zinc/06/02/08/1057060208.db2.gz FYEMLZXOMHMTNC-UXHICEINSA-N 2 1 399.554 3.564 20 10 GHCDMP C[C@H](C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H](C)CO)c1ccccc1 ZINC001324044340 1057060211 /nfs/dbraw/zinc/06/02/11/1057060211.db2.gz FYEMLZXOMHMTNC-UXHICEINSA-N 2 1 399.554 3.564 20 10 GHCDMP COc1ccc(CC(C)(C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001324333303 1057113470 /nfs/dbraw/zinc/11/34/70/1057113470.db2.gz GCIFUCBOGDSKDM-UHFFFAOYSA-N 2 1 385.527 3.697 20 10 GHCDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1cccs1 ZINC001474019032 1074237653 /nfs/dbraw/zinc/23/76/53/1074237653.db2.gz LDGAMEXPABYPHN-SIKLNZKXSA-N 2 1 385.577 3.757 20 10 GHCDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1cccs1 ZINC001474019032 1074237659 /nfs/dbraw/zinc/23/76/59/1074237659.db2.gz LDGAMEXPABYPHN-SIKLNZKXSA-N 2 1 385.577 3.757 20 10 GHCDMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(O)c1OC ZINC001474386869 1074378818 /nfs/dbraw/zinc/37/88/18/1074378818.db2.gz RQETUUGHMSWQNE-XLIONFOSSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(O)c1OC ZINC001474386869 1074378831 /nfs/dbraw/zinc/37/88/31/1074378831.db2.gz RQETUUGHMSWQNE-XLIONFOSSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(O)c1OC ZINC001474386869 1074378843 /nfs/dbraw/zinc/37/88/43/1074378843.db2.gz RQETUUGHMSWQNE-XLIONFOSSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c(O)c1OC ZINC001474386869 1074378856 /nfs/dbraw/zinc/37/88/56/1074378856.db2.gz RQETUUGHMSWQNE-XLIONFOSSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(O)c1OC ZINC001474386867 1074379116 /nfs/dbraw/zinc/37/91/16/1074379116.db2.gz RQETUUGHMSWQNE-FXAWDEMLSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(O)c1OC ZINC001474386867 1074379125 /nfs/dbraw/zinc/37/91/25/1074379125.db2.gz RQETUUGHMSWQNE-FXAWDEMLSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(O)c1OC ZINC001474386867 1074379131 /nfs/dbraw/zinc/37/91/31/1074379131.db2.gz RQETUUGHMSWQNE-FXAWDEMLSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(O)c1OC ZINC001474386867 1074379139 /nfs/dbraw/zinc/37/91/39/1074379139.db2.gz RQETUUGHMSWQNE-FXAWDEMLSA-N 2 1 384.520 3.894 20 10 GHCDMP CCN(Cc1ccccc1)c1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000236965169 845066467 /nfs/dbraw/zinc/06/64/67/845066467.db2.gz WVXJRXUXOGUNQN-UHFFFAOYSA-N 2 1 394.607 3.830 20 10 GHCDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(N(C)C)cc3C)C2)ccn1 ZINC000856550467 881364236 /nfs/dbraw/zinc/36/42/36/881364236.db2.gz ZHNOQZVWCBBFEC-HSZRJFAPSA-N 2 1 382.552 3.561 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)cc3C)C2)ccn1 ZINC000856550467 881364259 /nfs/dbraw/zinc/36/42/59/881364259.db2.gz ZHNOQZVWCBBFEC-HSZRJFAPSA-N 2 1 382.552 3.561 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3C)C2)ccn1 ZINC000856550467 881364280 /nfs/dbraw/zinc/36/42/80/881364280.db2.gz ZHNOQZVWCBBFEC-HSZRJFAPSA-N 2 1 382.552 3.561 20 10 GHCDMP Oc1c(Br)cccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904477455 860469450 /nfs/dbraw/zinc/46/94/50/860469450.db2.gz XGAPBYCOKVXLRP-LPHOPBHVSA-N 2 1 389.293 3.500 20 10 GHCDMP Cc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)ccc1N(C)C ZINC000856604807 881580333 /nfs/dbraw/zinc/58/03/33/881580333.db2.gz RKMCDPKDUJGBJZ-HSZRJFAPSA-N 2 1 396.579 3.950 20 10 GHCDMP Cc1cc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)ccc1N(C)C ZINC000856604807 881580349 /nfs/dbraw/zinc/58/03/49/881580349.db2.gz RKMCDPKDUJGBJZ-HSZRJFAPSA-N 2 1 396.579 3.950 20 10 GHCDMP Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)ccc1N(C)C ZINC000856604807 881580368 /nfs/dbraw/zinc/58/03/68/881580368.db2.gz RKMCDPKDUJGBJZ-HSZRJFAPSA-N 2 1 396.579 3.950 20 10 GHCDMP CN(C)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C(F)(F)F)c1 ZINC000792977040 881833887 /nfs/dbraw/zinc/83/38/87/881833887.db2.gz HUKRJVQCUHDYQU-SFHVURJKSA-N 2 1 385.474 3.504 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2)CC1 ZINC000775650425 872320783 /nfs/dbraw/zinc/32/07/83/872320783.db2.gz CIEZGNTXDXTTLZ-UHFFFAOYSA-N 2 1 380.492 3.511 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000775680877 872812816 /nfs/dbraw/zinc/81/28/16/872812816.db2.gz JYNPHMQHTTXSKK-UHFFFAOYSA-N 2 1 392.591 3.535 20 10 GHCDMP Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)CO1 ZINC000775713633 873057292 /nfs/dbraw/zinc/05/72/92/873057292.db2.gz KRTYQFYCVYGKPA-YKSBVNFPSA-N 2 1 379.548 3.709 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCCC[C@H]3C[C@H](O)c3ccco3)cc2)CC1 ZINC000775738165 873321348 /nfs/dbraw/zinc/32/13/48/873321348.db2.gz USNQXUSQEUMLJG-GOTSBHOMSA-N 2 1 397.563 3.900 20 10 GHCDMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cn1cccn1 ZINC001201946553 875949292 /nfs/dbraw/zinc/94/92/92/875949292.db2.gz GYEQHTRNSYDTRT-ICSRJNTNSA-N 2 1 382.552 3.683 20 10 GHCDMP COc1cc(O)c(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000776251992 876030720 /nfs/dbraw/zinc/03/07/20/876030720.db2.gz HVRIGPABYBQRNA-PKOBYXMFSA-N 2 1 384.520 3.800 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000844909389 901568411 /nfs/dbraw/zinc/56/84/11/901568411.db2.gz BCWQBWLRFYROOQ-ATZDWAIDSA-N 2 1 385.474 3.632 20 10 GHCDMP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000775055266 914813318 /nfs/dbraw/zinc/81/33/18/914813318.db2.gz SCTUCHBKPTVCQX-UHFFFAOYSA-N 2 1 379.501 3.643 20 10 GHCDMP C[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798497868 932672450 /nfs/dbraw/zinc/67/24/50/932672450.db2.gz GNEPKHDTLCINRS-DEOSSOPVSA-N 2 1 379.548 3.525 20 10 GHCDMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC001140952574 1022981275 /nfs/dbraw/zinc/98/12/75/1022981275.db2.gz XSZAHHLIKWCJAQ-QFIPXVFZSA-N 2 1 395.547 3.599 20 10 GHCDMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cc(Cl)ccc1O ZINC000756344336 1023598352 /nfs/dbraw/zinc/59/83/52/1023598352.db2.gz QBUHCGQWELXINT-PBHICJAKSA-N 2 1 379.957 3.746 20 10 GHCDMP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000756531811 1023700775 /nfs/dbraw/zinc/70/07/75/1023700775.db2.gz AYIBQQMEHOPZBT-DVECYGJZSA-N 2 1 393.575 3.910 20 10 GHCDMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001461056607 1069365499 /nfs/dbraw/zinc/36/54/99/1069365499.db2.gz JHINVUHIWPFNCL-UHFFFAOYSA-N 3 1 398.570 3.709 20 10 GHCDMP COc1cc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)cc(C[NH+](C)C)c1O ZINC001139256128 1026106253 /nfs/dbraw/zinc/10/62/53/1026106253.db2.gz UTNIXDWUQPULHB-UHFFFAOYSA-N 2 1 397.563 3.559 20 10 GHCDMP COc1cc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)cc(C[NH+](C)C)c1O ZINC001139256128 1026106256 /nfs/dbraw/zinc/10/62/56/1026106256.db2.gz UTNIXDWUQPULHB-UHFFFAOYSA-N 2 1 397.563 3.559 20 10 GHCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@@]1(C)c1cccc(O)c1 ZINC001139413480 1026286175 /nfs/dbraw/zinc/28/61/75/1026286175.db2.gz VBPYQDWDUROEJL-NBGIEHNGSA-N 2 1 393.575 3.944 20 10 GHCDMP COc1ccc(C[N@H+]2CCc3c(CN(C)Cc4ccco4)cncc3C2)c(O)c1 ZINC001203630489 1027489903 /nfs/dbraw/zinc/48/99/03/1027489903.db2.gz TZLVDCSCTUFNGD-UHFFFAOYSA-N 2 1 393.487 3.579 20 10 GHCDMP COc1ccc(CN2CCc3c(CN(C)Cc4ccco4)cncc3C2)c(O)c1 ZINC001203630489 1027489917 /nfs/dbraw/zinc/48/99/17/1027489917.db2.gz TZLVDCSCTUFNGD-UHFFFAOYSA-N 2 1 393.487 3.579 20 10 GHCDMP Oc1ccc(F)cc1C[N@H+]1[C@H](COCc2ccccc2)CCC12CC[NH2+]CC2 ZINC001222584786 1030213117 /nfs/dbraw/zinc/21/31/17/1030213117.db2.gz XCBANYJPMQZPLO-NRFANRHFSA-N 2 1 384.495 3.835 20 10 GHCDMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(N2CCCC2)cc1 ZINC001206716588 1033955426 /nfs/dbraw/zinc/95/54/26/1033955426.db2.gz FEWVHLQKMGZGQC-UHFFFAOYSA-N 2 1 379.548 3.751 20 10 GHCDMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc(N2CCCC2)cc1 ZINC001206716588 1033955431 /nfs/dbraw/zinc/95/54/31/1033955431.db2.gz FEWVHLQKMGZGQC-UHFFFAOYSA-N 2 1 379.548 3.751 20 10 GHCDMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC001246793623 1037634100 /nfs/dbraw/zinc/63/41/00/1037634100.db2.gz VATMWGCPGKOTGC-UPVQGACJSA-N 2 1 397.538 3.896 20 10 GHCDMP Cc1cc(F)ccc1[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC001246793623 1037634112 /nfs/dbraw/zinc/63/41/12/1037634112.db2.gz VATMWGCPGKOTGC-UPVQGACJSA-N 2 1 397.538 3.896 20 10 GHCDMP CCOc1ccc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246945262 1037749962 /nfs/dbraw/zinc/74/99/62/1037749962.db2.gz FVRVHHGXDQVVQK-FYYLOGMGSA-N 2 1 379.548 3.571 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)c(O)c1 ZINC001232838828 1038589944 /nfs/dbraw/zinc/58/99/44/1038589944.db2.gz MMDGICGSECMAGS-QFIPXVFZSA-N 2 1 383.536 3.928 20 10 GHCDMP Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235374823 1040882567 /nfs/dbraw/zinc/88/25/67/1040882567.db2.gz HPKPCIZGMUZNIZ-XLIONFOSSA-N 2 1 392.421 3.870 20 10 GHCDMP Oc1cccc(OC(F)(F)F)c1C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235374823 1040882581 /nfs/dbraw/zinc/88/25/81/1040882581.db2.gz HPKPCIZGMUZNIZ-XLIONFOSSA-N 2 1 392.421 3.870 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235375100 1040883261 /nfs/dbraw/zinc/88/32/61/1040883261.db2.gz YXOQKSJTXRIHJH-AVRDEDQJSA-N 2 1 386.923 3.807 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1Cl ZINC001235375100 1040883283 /nfs/dbraw/zinc/88/32/83/1040883283.db2.gz YXOQKSJTXRIHJH-AVRDEDQJSA-N 2 1 386.923 3.807 20 10 GHCDMP COc1cc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(O)cc1Br ZINC001236459682 1041722510 /nfs/dbraw/zinc/72/25/10/1041722510.db2.gz XHXYZLRTRBXCLS-UHFFFAOYSA-N 2 1 385.346 3.763 20 10 GHCDMP COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236939516 1041965485 /nfs/dbraw/zinc/96/54/85/1041965485.db2.gz RUPAGUZNQFOEOH-JOCHJYFZSA-N 2 1 383.511 3.923 20 10 GHCDMP Clc1ccc2c(c1)[C@@H]1C[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)CC[C@@H]1N2 ZINC001237251101 1042107782 /nfs/dbraw/zinc/10/77/82/1042107782.db2.gz VPCXVLACWQYDNX-UNMCSNQZSA-N 2 1 382.939 3.533 20 10 GHCDMP Cc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001238059537 1042478435 /nfs/dbraw/zinc/47/84/35/1042478435.db2.gz DFZFWBPVOMTBTB-WTOYTKOKSA-N 2 1 383.511 3.967 20 10 GHCDMP Cc1cc(F)cc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001238059537 1042478438 /nfs/dbraw/zinc/47/84/38/1042478438.db2.gz DFZFWBPVOMTBTB-WTOYTKOKSA-N 2 1 383.511 3.967 20 10 GHCDMP Cc1cc(F)cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001238059537 1042478441 /nfs/dbraw/zinc/47/84/41/1042478441.db2.gz DFZFWBPVOMTBTB-WTOYTKOKSA-N 2 1 383.511 3.967 20 10 GHCDMP Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001238059537 1042478446 /nfs/dbraw/zinc/47/84/46/1042478446.db2.gz DFZFWBPVOMTBTB-WTOYTKOKSA-N 2 1 383.511 3.967 20 10 GHCDMP [NH3+][C@H](c1ccccc1O)[C@H](N[C@@H]1CCC[N@H+](C2CCCC2)C1)c1ccccc1O ZINC001256910135 1043736510 /nfs/dbraw/zinc/73/65/10/1043736510.db2.gz XJCSPFRXNWUJCX-UOKFIYJESA-N 2 1 395.547 3.836 20 10 GHCDMP Cc1cc(O)c(C[NH+]2CCC3(CCC[N@H+](CCN(C)C)C3)CC2)cc1Cl ZINC001279433461 1047805178 /nfs/dbraw/zinc/80/51/78/1047805178.db2.gz UDCGRKIIRDLIJT-UHFFFAOYSA-N 2 1 379.976 3.594 20 10 GHCDMP Cc1cc(O)c(C[NH+]2CCC3(CCCN(CC[NH+](C)C)C3)CC2)cc1Cl ZINC001279433461 1047805185 /nfs/dbraw/zinc/80/51/85/1047805185.db2.gz UDCGRKIIRDLIJT-UHFFFAOYSA-N 2 1 379.976 3.594 20 10 GHCDMP Cc1cccc(C)c1OC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318368114 1054590673 /nfs/dbraw/zinc/59/06/73/1054590673.db2.gz QPUOBUWBEDSFEK-IBGZPJMESA-N 2 1 385.527 3.751 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccc(O)cc3)CC3CC3)cc2F)CC1 ZINC001347213388 1062216607 /nfs/dbraw/zinc/21/66/07/1062216607.db2.gz WXWJKTDJMBINKY-UHFFFAOYSA-N 2 1 383.511 3.695 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+](Cc3ccc(O)cc3)CC3CC3)cc2F)CC1 ZINC001347213388 1062216631 /nfs/dbraw/zinc/21/66/31/1062216631.db2.gz WXWJKTDJMBINKY-UHFFFAOYSA-N 2 1 383.511 3.695 20 10 GHCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C1)OCO2 ZINC000765103485 859789332 /nfs/dbraw/zinc/78/93/32/859789332.db2.gz FZWXTRSJVANYGZ-ICSRJNTNSA-N 2 1 380.488 3.607 20 10 GHCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C1)OCO2 ZINC000765103485 859789339 /nfs/dbraw/zinc/78/93/39/859789339.db2.gz FZWXTRSJVANYGZ-ICSRJNTNSA-N 2 1 380.488 3.607 20 10 GHCDMP Oc1cc2c(cc1C[NH+]1CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C1)OCO2 ZINC000765103485 859789344 /nfs/dbraw/zinc/78/93/44/859789344.db2.gz FZWXTRSJVANYGZ-ICSRJNTNSA-N 2 1 380.488 3.607 20 10 GHCDMP Oc1cc2c(cc1C[NH+]1CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C1)OCO2 ZINC000765103485 859789352 /nfs/dbraw/zinc/78/93/52/859789352.db2.gz FZWXTRSJVANYGZ-ICSRJNTNSA-N 2 1 380.488 3.607 20 10 GHCDMP CCN(C)c1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)cc1 ZINC000856584940 881557494 /nfs/dbraw/zinc/55/74/94/881557494.db2.gz UYBYYDLZVQNMON-QHCPKHFHSA-N 2 1 382.552 3.643 20 10 GHCDMP CCN(C)c1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)cc1 ZINC000856584940 881557506 /nfs/dbraw/zinc/55/75/06/881557506.db2.gz UYBYYDLZVQNMON-QHCPKHFHSA-N 2 1 382.552 3.643 20 10 GHCDMP CCN(C)c1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)cc1 ZINC000856584940 881557520 /nfs/dbraw/zinc/55/75/20/881557520.db2.gz UYBYYDLZVQNMON-QHCPKHFHSA-N 2 1 382.552 3.643 20 10 GHCDMP Cc1cc(N2CCC([NH2+][C@H](C)c3cc4c(cc3O)CCCC4)CC2)nc(C)[nH+]1 ZINC000185655087 861126470 /nfs/dbraw/zinc/12/64/70/861126470.db2.gz SHOXFJLDVSRQJH-MRXNPFEDSA-N 2 1 380.536 3.997 20 10 GHCDMP COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)c(OC)c1 ZINC000775647656 872321922 /nfs/dbraw/zinc/32/19/22/872321922.db2.gz XGMUJSNBEZEECI-QHCPKHFHSA-N 2 1 395.547 3.793 20 10 GHCDMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1(C)C ZINC000858100711 882847527 /nfs/dbraw/zinc/84/75/27/882847527.db2.gz XCAHYLCWNXIRAC-INIZCTEOSA-N 2 1 385.474 3.504 20 10 GHCDMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1(C)C ZINC000858100711 882847546 /nfs/dbraw/zinc/84/75/46/882847546.db2.gz XCAHYLCWNXIRAC-INIZCTEOSA-N 2 1 385.474 3.504 20 10 GHCDMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1Cn1cccn1 ZINC001201946551 875948649 /nfs/dbraw/zinc/94/86/49/875948649.db2.gz GYEQHTRNSYDTRT-AZUAARDMSA-N 2 1 382.552 3.683 20 10 GHCDMP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c(O)c(C(C)(C)C)c1 ZINC000850038137 876621595 /nfs/dbraw/zinc/62/15/95/876621595.db2.gz LDRWBJBRNRKTQC-UHFFFAOYSA-N 2 1 380.492 3.877 20 10 GHCDMP Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000850357776 876848457 /nfs/dbraw/zinc/84/84/57/876848457.db2.gz VEZLUCQFQAIDLR-XMMPIXPASA-N 2 1 388.511 3.916 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(C(F)(F)F)c1O ZINC000850509755 876982025 /nfs/dbraw/zinc/98/20/25/876982025.db2.gz RZKVWRJBKGOGOS-RHSMWYFYSA-N 2 1 394.437 3.828 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc(C(F)(F)F)c1O ZINC000850509755 876982033 /nfs/dbraw/zinc/98/20/33/876982033.db2.gz RZKVWRJBKGOGOS-RHSMWYFYSA-N 2 1 394.437 3.828 20 10 GHCDMP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1O ZINC000853241013 878925049 /nfs/dbraw/zinc/92/50/49/878925049.db2.gz RRQAHCBZIRJTJQ-HIFRSBDPSA-N 2 1 397.357 3.936 20 10 GHCDMP CCc1ccc([C@H]2C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CCO2)cc1 ZINC000792187868 880974215 /nfs/dbraw/zinc/97/42/15/880974215.db2.gz ISWVFDVMSNWPDO-XMMPIXPASA-N 2 1 379.548 3.574 20 10 GHCDMP CCc1ccc([C@@H]2C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CCO2)cc1 ZINC000792187865 880974401 /nfs/dbraw/zinc/97/44/01/880974401.db2.gz ISWVFDVMSNWPDO-DEOSSOPVSA-N 2 1 379.548 3.574 20 10 GHCDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000154458165 892264164 /nfs/dbraw/zinc/26/41/64/892264164.db2.gz JWBFJSKZORJRQQ-FQEVSTJZSA-N 2 1 390.591 3.884 20 10 GHCDMP Cc1ccc(O)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000815149729 893523319 /nfs/dbraw/zinc/52/33/19/893523319.db2.gz XRAXMLDTXVYSPL-QFIPXVFZSA-N 2 1 380.532 3.719 20 10 GHCDMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c2ccccc21 ZINC000817887709 895931027 /nfs/dbraw/zinc/93/10/27/895931027.db2.gz CPGCDCJTVLKDAF-UXHICEINSA-N 2 1 391.437 3.776 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000775049682 914757008 /nfs/dbraw/zinc/75/70/08/914757008.db2.gz BVOBKBOYAXFGSV-UHFFFAOYSA-N 2 1 399.491 3.831 20 10 GHCDMP CC[NH+](CC)CC[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC001181653672 910904500 /nfs/dbraw/zinc/90/45/00/910904500.db2.gz ICAJNXPXQNFSDK-LJQANCHMSA-N 2 1 398.595 3.644 20 10 GHCDMP c1sc(C2CC2)nc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000092855868 911866636 /nfs/dbraw/zinc/86/66/36/911866636.db2.gz LTZMDDWLYCDLSG-UHFFFAOYSA-N 2 1 382.577 3.842 20 10 GHCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000757634140 929751658 /nfs/dbraw/zinc/75/16/58/929751658.db2.gz ZAVRSAXRHLWMOI-ABSDTBQOSA-N 2 1 382.504 3.740 20 10 GHCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000757634140 929751660 /nfs/dbraw/zinc/75/16/60/929751660.db2.gz ZAVRSAXRHLWMOI-ABSDTBQOSA-N 2 1 382.504 3.740 20 10 GHCDMP COc1cccc(C2([NH2+]Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)CCC2)c1 ZINC001118484759 934180487 /nfs/dbraw/zinc/18/04/87/934180487.db2.gz VHKACWQIJAWBMI-UHFFFAOYSA-N 2 1 383.511 3.755 20 10 GHCDMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(O)cc2O)CC3)c1 ZINC001204274629 1032717537 /nfs/dbraw/zinc/71/75/37/1032717537.db2.gz RGNBOUZYELLKRM-UHFFFAOYSA-N 2 1 382.504 3.595 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001141031186 1023297411 /nfs/dbraw/zinc/29/74/11/1023297411.db2.gz YTOZJZJGLHUWBK-XMMPIXPASA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001141031186 1023297427 /nfs/dbraw/zinc/29/74/27/1023297427.db2.gz YTOZJZJGLHUWBK-XMMPIXPASA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(O)c(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001141031186 1023297433 /nfs/dbraw/zinc/29/74/33/1023297433.db2.gz YTOZJZJGLHUWBK-XMMPIXPASA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(O)c(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001141031186 1023297444 /nfs/dbraw/zinc/29/74/44/1023297444.db2.gz YTOZJZJGLHUWBK-XMMPIXPASA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(CN(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C[NH+](C)C)c1O ZINC001139260652 1026109543 /nfs/dbraw/zinc/10/95/43/1026109543.db2.gz OFXYQFWBFJRUEG-QFIPXVFZSA-N 2 1 397.563 3.559 20 10 GHCDMP COc1cc(C[N@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)cc(C[NH+](C)C)c1O ZINC001139260652 1026109560 /nfs/dbraw/zinc/10/95/60/1026109560.db2.gz OFXYQFWBFJRUEG-QFIPXVFZSA-N 2 1 397.563 3.559 20 10 GHCDMP COc1cc(C[N@@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)cc(C[NH+](C)C)c1O ZINC001139260652 1026109575 /nfs/dbraw/zinc/10/95/75/1026109575.db2.gz OFXYQFWBFJRUEG-QFIPXVFZSA-N 2 1 397.563 3.559 20 10 GHCDMP COc1cc(C[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)cc(C[NH+](C)C)c1O ZINC001139260701 1026110704 /nfs/dbraw/zinc/11/07/04/1026110704.db2.gz QHDCDDJARXDRGP-UHFFFAOYSA-N 2 1 398.425 3.993 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccsc3C(F)(F)F)cc2F)CC1 ZINC001203321109 1027273647 /nfs/dbraw/zinc/27/36/47/1027273647.db2.gz RPVKGNVZPINDKT-UHFFFAOYSA-N 2 1 387.446 3.948 20 10 GHCDMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001203628583 1027488577 /nfs/dbraw/zinc/48/85/77/1027488577.db2.gz BYJWVCYAEIGWIA-HSQYWUDLSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001203628583 1027488584 /nfs/dbraw/zinc/48/85/84/1027488584.db2.gz BYJWVCYAEIGWIA-HSQYWUDLSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001203628583 1027488593 /nfs/dbraw/zinc/48/85/93/1027488593.db2.gz BYJWVCYAEIGWIA-HSQYWUDLSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001203628583 1027488601 /nfs/dbraw/zinc/48/86/01/1027488601.db2.gz BYJWVCYAEIGWIA-HSQYWUDLSA-N 2 1 381.520 3.528 20 10 GHCDMP C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001203656730 1027510813 /nfs/dbraw/zinc/51/08/13/1027510813.db2.gz WGBFFYRXXDSYGH-GOSISDBHSA-N 2 1 390.911 3.894 20 10 GHCDMP COc1cc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(O)cc1Br ZINC001222173629 1029989335 /nfs/dbraw/zinc/98/93/35/1029989335.db2.gz WOIHQUSNZWHIIQ-LJQANCHMSA-N 2 1 397.357 3.909 20 10 GHCDMP COc1cc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(O)cc1Br ZINC001222173629 1029989341 /nfs/dbraw/zinc/98/93/41/1029989341.db2.gz WOIHQUSNZWHIIQ-LJQANCHMSA-N 2 1 397.357 3.909 20 10 GHCDMP C[N@@H+](CCC=C1c2ccccc2CCc2ccccc21)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246880211 1037693911 /nfs/dbraw/zinc/69/39/11/1037693911.db2.gz RQWXMLYPYSXGQV-JOCHJYFZSA-N 2 1 387.571 3.633 20 10 GHCDMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1ccc3c(c1)CCCN3C)CC2 ZINC001235018451 1040506987 /nfs/dbraw/zinc/50/69/87/1040506987.db2.gz IYDZDBQDFVZVOD-UHFFFAOYSA-N 2 1 391.559 3.715 20 10 GHCDMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1ccc3c(c1)CCCN3C)CC2 ZINC001235018451 1040507005 /nfs/dbraw/zinc/50/70/05/1040507005.db2.gz IYDZDBQDFVZVOD-UHFFFAOYSA-N 2 1 391.559 3.715 20 10 GHCDMP COc1cccc([C@H]2CCCC[N@H+]2Cc2ccc(N3CC[NH2+]CC3)cc2O)c1 ZINC001235726879 1041213132 /nfs/dbraw/zinc/21/31/32/1041213132.db2.gz QWWLNSQJLKNZJJ-JOCHJYFZSA-N 2 1 381.520 3.538 20 10 GHCDMP Clc1cc(N2CCOCC2)ccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236374236 1041686337 /nfs/dbraw/zinc/68/63/37/1041686337.db2.gz BQVRWKSMIPKLBB-GOSISDBHSA-N 2 1 391.987 3.921 20 10 GHCDMP COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2F)cc1 ZINC001236940403 1041965587 /nfs/dbraw/zinc/96/55/87/1041965587.db2.gz PVIKQIJFDYIFOX-HSZRJFAPSA-N 2 1 383.511 3.923 20 10 GHCDMP COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236943774 1041965979 /nfs/dbraw/zinc/96/59/79/1041965979.db2.gz VJNMWZGZKAIVCV-SFHVURJKSA-N 2 1 385.527 3.649 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](Oc4ccccc4)C3)c(F)c2)CC1 ZINC001236940923 1041966041 /nfs/dbraw/zinc/96/60/41/1041966041.db2.gz WWVWFXTXZRZENX-JOCHJYFZSA-N 2 1 383.511 3.621 20 10 GHCDMP COc1cc(CN2CCC([N@@H+](C)Cc3ccc(F)cc3)CC2)c(O)c(OC)c1 ZINC001237682264 1042322450 /nfs/dbraw/zinc/32/24/50/1042322450.db2.gz XIUAKHMSXLSPNS-UHFFFAOYSA-N 2 1 388.483 3.645 20 10 GHCDMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001279196881 1047740602 /nfs/dbraw/zinc/74/06/02/1047740602.db2.gz DHGLIGJJKJCVLB-UHFFFAOYSA-N 2 1 375.513 3.784 20 10 GHCDMP Oc1ccc(Cl)c(Cl)c1C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279674920 1047909796 /nfs/dbraw/zinc/90/97/96/1047909796.db2.gz QWKSSXYCGPAZLR-UHFFFAOYSA-N 2 1 395.334 3.910 20 10 GHCDMP Oc1ccc(Cl)c(Cl)c1C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279674920 1047909797 /nfs/dbraw/zinc/90/97/97/1047909797.db2.gz QWKSSXYCGPAZLR-UHFFFAOYSA-N 2 1 395.334 3.910 20 10 GHCDMP CC[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Oc1ccccc1C ZINC001308291793 1049940083 /nfs/dbraw/zinc/94/00/83/1049940083.db2.gz YKKQHJULEREZPC-HXUWFJFHSA-N 2 1 385.527 3.833 20 10 GHCDMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(N3CCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC001322600036 1056765583 /nfs/dbraw/zinc/76/55/83/1056765583.db2.gz GYWILXHQZWKWFM-RUZDIDTESA-N 2 1 392.591 3.755 20 10 GHCDMP Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(N3CCN(C)CC3)c(F)c1)CCC2 ZINC001323309147 1056951442 /nfs/dbraw/zinc/95/14/42/1056951442.db2.gz FYBLBUMOKFAQIL-FQEVSTJZSA-N 2 1 388.556 3.852 20 10 GHCDMP Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(N3CC[NH+](C)CC3)c(F)c1)CCC2 ZINC001323309147 1056951445 /nfs/dbraw/zinc/95/14/45/1056951445.db2.gz FYBLBUMOKFAQIL-FQEVSTJZSA-N 2 1 388.556 3.852 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCOC4(CCCCC4)C3)cc2F)CC1 ZINC001324051559 1057061800 /nfs/dbraw/zinc/06/18/00/1057061800.db2.gz YSHUAWYSNUAEKR-IBGZPJMESA-N 2 1 375.532 3.549 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3[C@H](O)c3ccccc3)cc2F)CC1 ZINC001324743706 1057217341 /nfs/dbraw/zinc/21/73/41/1057217341.db2.gz DMFMMPIPTLNPPO-BJKOFHAPSA-N 2 1 397.538 3.666 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3[C@H](O)c3ccccc3)cc2F)CC1 ZINC001324743706 1057217345 /nfs/dbraw/zinc/21/73/45/1057217345.db2.gz DMFMMPIPTLNPPO-BJKOFHAPSA-N 2 1 397.538 3.666 20 10 GHCDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001473932815 1074209016 /nfs/dbraw/zinc/20/90/16/1074209016.db2.gz AUMPVNDTPPTYSF-UHFFFAOYSA-N 2 1 398.570 3.708 20 10 GHCDMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001473932815 1074209020 /nfs/dbraw/zinc/20/90/20/1074209020.db2.gz AUMPVNDTPPTYSF-UHFFFAOYSA-N 3 1 398.570 3.708 20 10 GHCDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001473932815 1074209025 /nfs/dbraw/zinc/20/90/25/1074209025.db2.gz AUMPVNDTPPTYSF-UHFFFAOYSA-N 3 1 398.570 3.708 20 10 GHCDMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000765781836 854813656 /nfs/dbraw/zinc/81/36/56/854813656.db2.gz CFLQEBLIXNENAS-QZTJIDSGSA-N 2 1 379.976 3.948 20 10 GHCDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000765781836 854813666 /nfs/dbraw/zinc/81/36/66/854813666.db2.gz CFLQEBLIXNENAS-QZTJIDSGSA-N 2 1 379.976 3.948 20 10 GHCDMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(N2CCCCC2)cc1 ZINC000766139861 857405762 /nfs/dbraw/zinc/40/57/62/857405762.db2.gz XJSFQDSOJDZGSA-SQJMNOBHSA-N 2 1 393.575 3.965 20 10 GHCDMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCCCC2)cc1 ZINC000766139861 857405767 /nfs/dbraw/zinc/40/57/67/857405767.db2.gz XJSFQDSOJDZGSA-SQJMNOBHSA-N 2 1 393.575 3.965 20 10 GHCDMP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000764464181 859458030 /nfs/dbraw/zinc/45/80/30/859458030.db2.gz MCWIJHDWWBDPCR-RXVVDRJESA-N 2 1 386.609 3.844 20 10 GHCDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000738169101 865500707 /nfs/dbraw/zinc/50/07/07/865500707.db2.gz FHPCLCZHMLGMTP-GOSISDBHSA-N 2 1 397.563 3.619 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3C[C@@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000775738265 873318636 /nfs/dbraw/zinc/31/86/36/873318636.db2.gz XWQFGSFTVWPHOJ-BJKOFHAPSA-N 2 1 397.538 3.666 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(C(F)(F)F)c3)cc2F)CC1 ZINC001199014056 874764810 /nfs/dbraw/zinc/76/48/10/874764810.db2.gz PWUZQEDJKMQMBH-UHFFFAOYSA-N 2 1 381.417 3.886 20 10 GHCDMP Oc1ccc2ccc(O)c(C[N@H+]3CC[C@@H]4C[C@@H]4C3)c2c1C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000853576407 879133783 /nfs/dbraw/zinc/13/37/83/879133783.db2.gz DKNDBJOTGRINPF-NCXUSEDFSA-N 2 1 378.516 3.935 20 10 GHCDMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1C(F)(F)F ZINC000873229122 891533930 /nfs/dbraw/zinc/53/39/30/891533930.db2.gz XSGKYNBBBOFONL-WMZOPIPTSA-N 2 1 380.410 3.540 20 10 GHCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1C(F)(F)F ZINC000873229122 891533944 /nfs/dbraw/zinc/53/39/44/891533944.db2.gz XSGKYNBBBOFONL-WMZOPIPTSA-N 2 1 380.410 3.540 20 10 GHCDMP CC[NH+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000774909405 914005566 /nfs/dbraw/zinc/00/55/66/914005566.db2.gz MOQKSDADIJCFGF-SFHVURJKSA-N 2 1 399.491 3.653 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000774987736 914351404 /nfs/dbraw/zinc/35/14/04/914351404.db2.gz ATIJYASLHWBTOT-UHFFFAOYSA-N 2 1 399.491 3.975 20 10 GHCDMP Cc1cc(Br)cc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1O ZINC000779024676 903076972 /nfs/dbraw/zinc/07/69/72/903076972.db2.gz OEXVMXMSDBKVFA-WMLDXEAASA-N 2 1 397.357 3.757 20 10 GHCDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2ccccc2c1O ZINC000186520197 907937664 /nfs/dbraw/zinc/93/76/64/907937664.db2.gz SEWVWPOXVWGEIR-UWJYYQICSA-N 2 1 376.500 3.963 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(Br)s3)cc2F)CC1 ZINC001177162366 908440769 /nfs/dbraw/zinc/44/07/69/908440769.db2.gz NSVUGPIPWHYTII-UHFFFAOYSA-N 2 1 398.345 3.691 20 10 GHCDMP COc1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c(O)c1OC ZINC001180224937 910024314 /nfs/dbraw/zinc/02/43/14/910024314.db2.gz LGOUBZNYRXJZEE-KRWDZBQOSA-N 2 1 376.541 3.886 20 10 GHCDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000751150989 928051373 /nfs/dbraw/zinc/05/13/73/928051373.db2.gz DNGLGYBKBBBZME-UGKGYDQZSA-N 2 1 397.538 3.805 20 10 GHCDMP Oc1cc2c(cc1C[N@@H+](Cc1ccccc1)C1CCSCC1)C[NH2+]CCO2 ZINC001236269688 1032593622 /nfs/dbraw/zinc/59/36/22/1032593622.db2.gz MUUNTOHBODWZSL-UHFFFAOYSA-N 2 1 384.545 3.772 20 10 GHCDMP Cc1c(O)ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001140746249 1022418148 /nfs/dbraw/zinc/41/81/48/1022418148.db2.gz XDYSTCPYGDXQMW-YYWHXJBOSA-N 2 1 381.520 3.534 20 10 GHCDMP Cc1c(O)ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001140746249 1022418154 /nfs/dbraw/zinc/41/81/54/1022418154.db2.gz XDYSTCPYGDXQMW-YYWHXJBOSA-N 2 1 381.520 3.534 20 10 GHCDMP Cc1c(O)ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001140746249 1022418166 /nfs/dbraw/zinc/41/81/66/1022418166.db2.gz XDYSTCPYGDXQMW-YYWHXJBOSA-N 2 1 381.520 3.534 20 10 GHCDMP Cc1c(O)ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001140746249 1022418176 /nfs/dbraw/zinc/41/81/76/1022418176.db2.gz XDYSTCPYGDXQMW-YYWHXJBOSA-N 2 1 381.520 3.534 20 10 GHCDMP CCOc1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4C)cc3)CC2)cc1 ZINC001138550459 1024999110 /nfs/dbraw/zinc/99/91/10/1024999110.db2.gz UGOXAXWRJJQBHR-UHFFFAOYSA-N 2 1 376.504 3.902 20 10 GHCDMP COc1ccc(C[C@@H]2CCC[N@@H+](Cc3cc(C[NH+](C)C)c(O)c(OC)c3)C2)cc1 ZINC001139259206 1026109511 /nfs/dbraw/zinc/10/95/11/1026109511.db2.gz MUBYMLPURNRZAF-IBGZPJMESA-N 2 1 398.547 3.926 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139409994 1026281588 /nfs/dbraw/zinc/28/15/88/1026281588.db2.gz ZRFOBSHFACYGLX-UHFFFAOYSA-N 2 1 378.564 3.671 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4C[C@H]3CN4c3ccccc3Cl)cc2)CC1 ZINC001139411384 1026284443 /nfs/dbraw/zinc/28/44/43/1026284443.db2.gz JBGKXMVQKNBLRA-SFTDATJTSA-N 2 1 396.966 3.555 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](OCc4ccccc4)C3)cc2)CC1 ZINC001139413330 1026285712 /nfs/dbraw/zinc/28/57/12/1026285712.db2.gz UFJIWCJDZYPWHI-XMMPIXPASA-N 2 1 379.548 3.620 20 10 GHCDMP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001140027944 1026817126 /nfs/dbraw/zinc/81/71/26/1026817126.db2.gz HYMQUOOUXHJHAK-UHFFFAOYSA-N 2 1 376.504 3.649 20 10 GHCDMP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001140027944 1026817130 /nfs/dbraw/zinc/81/71/30/1026817130.db2.gz HYMQUOOUXHJHAK-UHFFFAOYSA-N 2 1 376.504 3.649 20 10 GHCDMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1ccc(-n3c(C)ccc3C)cc1)CC[NH2+]CC2 ZINC001222221636 1030016207 /nfs/dbraw/zinc/01/62/07/1030016207.db2.gz OXFKVGGAZLOSEC-QFIPXVFZSA-N 2 1 395.547 3.601 20 10 GHCDMP C[NH+]1CCN(c2ccc(NCc3c(O)cccc3Cl)c3c[nH+]ccc32)CC1 ZINC001461822606 1069772050 /nfs/dbraw/zinc/77/20/50/1069772050.db2.gz NLHUEXJGKITWLG-UHFFFAOYSA-N 2 1 382.895 3.958 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1cc(F)ccc1N(C)C ZINC001461832924 1069777756 /nfs/dbraw/zinc/77/77/56/1069777756.db2.gz CDNVPQSHSFLEDH-MRXNPFEDSA-N 2 1 388.506 3.633 20 10 GHCDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001232838497 1038590326 /nfs/dbraw/zinc/59/03/26/1038590326.db2.gz GSHUZNSECWKTOJ-CDNPAEQRSA-N 2 1 394.563 3.586 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001232838497 1038590329 /nfs/dbraw/zinc/59/03/29/1038590329.db2.gz GSHUZNSECWKTOJ-CDNPAEQRSA-N 2 1 394.563 3.586 20 10 GHCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001232838497 1038590334 /nfs/dbraw/zinc/59/03/34/1038590334.db2.gz GSHUZNSECWKTOJ-CDNPAEQRSA-N 2 1 394.563 3.586 20 10 GHCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001232838497 1038590341 /nfs/dbraw/zinc/59/03/41/1038590341.db2.gz GSHUZNSECWKTOJ-CDNPAEQRSA-N 2 1 394.563 3.586 20 10 GHCDMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233484304 1039381997 /nfs/dbraw/zinc/38/19/97/1039381997.db2.gz GBWSZHVXRBUJCN-FHLIZLRMSA-N 2 1 388.533 3.597 20 10 GHCDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233484304 1039382009 /nfs/dbraw/zinc/38/20/09/1039382009.db2.gz GBWSZHVXRBUJCN-FHLIZLRMSA-N 2 1 388.533 3.597 20 10 GHCDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233484304 1039382024 /nfs/dbraw/zinc/38/20/24/1039382024.db2.gz GBWSZHVXRBUJCN-FHLIZLRMSA-N 2 1 388.533 3.597 20 10 GHCDMP COc1cc(Cl)cc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c1O ZINC001235386638 1040905079 /nfs/dbraw/zinc/90/50/79/1040905079.db2.gz WDCUUOJFDGOARJ-PGRDOPGGSA-N 2 1 386.923 3.807 20 10 GHCDMP CCOC(=O)c1c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2ccccc2n1C ZINC001235427119 1040929021 /nfs/dbraw/zinc/92/90/21/1040929021.db2.gz MYJWHBRNGOSSPQ-MSOLQXFVSA-N 2 1 383.536 3.567 20 10 GHCDMP Clc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001235975118 1041479615 /nfs/dbraw/zinc/47/96/15/1041479615.db2.gz WLMBFECTMPCPSF-JOCHJYFZSA-N 2 1 385.939 3.793 20 10 GHCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@H](Oc3ccc(Cl)cc3)C1)C[NH2+]CCO2 ZINC001235973939 1041479754 /nfs/dbraw/zinc/47/97/54/1041479754.db2.gz QDELZQMMDICWTD-IBGZPJMESA-N 2 1 388.895 3.571 20 10 GHCDMP COc1cc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(O)cc1Br ZINC001236753496 1041872777 /nfs/dbraw/zinc/87/27/77/1041872777.db2.gz OHXBELZMRJHABB-UHFFFAOYSA-N 2 1 385.346 3.716 20 10 GHCDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237113453 1042045620 /nfs/dbraw/zinc/04/56/20/1042045620.db2.gz YMXXIIQHCOLKHV-UHFFFAOYSA-N 2 1 381.398 3.733 20 10 GHCDMP Cc1cc(F)cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1O ZINC001238059566 1042478393 /nfs/dbraw/zinc/47/83/93/1042478393.db2.gz ACVVYYVRQNPPCM-IBGZPJMESA-N 2 1 388.483 3.688 20 10 GHCDMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001308344209 1049953999 /nfs/dbraw/zinc/95/39/99/1049953999.db2.gz BVBIUBMQIJJPIY-VWLOTQADSA-N 2 1 393.575 3.923 20 10 GHCDMP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Oc1cccc(Cl)c1 ZINC001318777555 1054865946 /nfs/dbraw/zinc/86/59/46/1054865946.db2.gz MEFBMENZCRLDST-INIZCTEOSA-N 2 1 391.918 3.788 20 10 GHCDMP C[C@H]1CCCN(c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2Cl)C1 ZINC000848548546 1057171184 /nfs/dbraw/zinc/17/11/84/1057171184.db2.gz HVTWFUGKYKYCHM-PXNSSMCTSA-N 2 1 391.987 3.919 20 10 GHCDMP Cc1cnc(C2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)CC2)s1 ZINC001324627764 1057183572 /nfs/dbraw/zinc/18/35/72/1057183572.db2.gz AJIGQEUZTVQPJS-UHFFFAOYSA-N 2 1 388.556 3.722 20 10 GHCDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C/C=C/c3ccc(N(C)C)cc3)C2)ccn1 ZINC000856550094 881366403 /nfs/dbraw/zinc/36/64/03/881366403.db2.gz WWSRGDBEZNRLOF-JXSPYEIYSA-N 2 1 394.563 3.766 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C/C=C/c3ccc(N(C)C)cc3)C2)ccn1 ZINC000856550094 881366423 /nfs/dbraw/zinc/36/64/23/881366423.db2.gz WWSRGDBEZNRLOF-JXSPYEIYSA-N 2 1 394.563 3.766 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C/C=C/c3ccc(N(C)C)cc3)C2)ccn1 ZINC000856550094 881366446 /nfs/dbraw/zinc/36/64/46/881366446.db2.gz WWSRGDBEZNRLOF-JXSPYEIYSA-N 2 1 394.563 3.766 20 10 GHCDMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000764640533 859544508 /nfs/dbraw/zinc/54/45/08/859544508.db2.gz MBUFHWQCOJETRB-SFHVURJKSA-N 2 1 379.976 3.949 20 10 GHCDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(Cl)cc3O)C2)ccn1 ZINC001183046065 912214026 /nfs/dbraw/zinc/21/40/26/912214026.db2.gz SRQQWUFACIZNCM-LJQANCHMSA-N 2 1 375.900 3.546 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)ccn1 ZINC001183046065 912214048 /nfs/dbraw/zinc/21/40/48/912214048.db2.gz SRQQWUFACIZNCM-LJQANCHMSA-N 2 1 375.900 3.546 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3O)C2)ccn1 ZINC001183046065 912214076 /nfs/dbraw/zinc/21/40/76/912214076.db2.gz SRQQWUFACIZNCM-LJQANCHMSA-N 2 1 375.900 3.546 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3cccc4c3OCCO4)cc2)CC1 ZINC000775674454 872702182 /nfs/dbraw/zinc/70/21/82/872702182.db2.gz CBNILWFEJBITKK-QFIPXVFZSA-N 2 1 393.531 3.547 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)cc2)CC1 ZINC000775715204 873092763 /nfs/dbraw/zinc/09/27/63/873092763.db2.gz UJPZHLUPRFHIIR-OAQYLSRUSA-N 2 1 395.522 3.672 20 10 GHCDMP CC[N@@H+](CCC1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1)CC1CC1 ZINC000770684784 874821451 /nfs/dbraw/zinc/82/14/51/874821451.db2.gz MITBHDLVZQXMBG-UHFFFAOYSA-N 2 1 376.541 3.743 20 10 GHCDMP Cc1cc(O)c(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c(Cl)c1 ZINC001199190024 874845181 /nfs/dbraw/zinc/84/51/81/874845181.db2.gz RAZCFLCGTGYZAK-OAQYLSRUSA-N 2 1 387.955 3.822 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)cc1 ZINC000850347054 876838592 /nfs/dbraw/zinc/83/85/92/876838592.db2.gz MRPFGLPHDRFTMW-NNWRFLSQSA-N 2 1 379.548 3.917 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)cc1 ZINC000850347054 876838601 /nfs/dbraw/zinc/83/86/01/876838601.db2.gz MRPFGLPHDRFTMW-NNWRFLSQSA-N 2 1 379.548 3.917 20 10 GHCDMP CC[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818775 912452264 /nfs/dbraw/zinc/45/22/64/912452264.db2.gz OSFATONEGMVZDF-XMMPIXPASA-N 2 1 393.575 3.867 20 10 GHCDMP CC[NH+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818775 912452308 /nfs/dbraw/zinc/45/23/08/912452308.db2.gz OSFATONEGMVZDF-XMMPIXPASA-N 2 1 393.575 3.867 20 10 GHCDMP CC[NH+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818775 912452314 /nfs/dbraw/zinc/45/23/14/912452314.db2.gz OSFATONEGMVZDF-XMMPIXPASA-N 2 1 393.575 3.867 20 10 GHCDMP CCCN(CCC)c1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000809740796 887776645 /nfs/dbraw/zinc/77/66/45/887776645.db2.gz IVBHEJUSCDQSDM-XMMPIXPASA-N 2 1 386.628 3.913 20 10 GHCDMP Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809756239 887797080 /nfs/dbraw/zinc/79/70/80/887797080.db2.gz FPLFLXQDNRCGIX-QFIPXVFZSA-N 2 1 381.568 3.896 20 10 GHCDMP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)c2ccccc2)CC1 ZINC000816528260 894926852 /nfs/dbraw/zinc/92/68/52/894926852.db2.gz TUVUWGGUZMIALG-HSZRJFAPSA-N 2 1 375.516 3.624 20 10 GHCDMP CC(C)(C)[NH+]1CCC(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000773149094 904491327 /nfs/dbraw/zinc/49/13/27/904491327.db2.gz ZXVCWRSYMDGDHW-UHFFFAOYSA-N 2 1 384.612 3.571 20 10 GHCDMP CC(C)c1ccc(O)c(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001181689185 910898287 /nfs/dbraw/zinc/89/82/87/910898287.db2.gz WFCSNCUPYWKWBV-DEOSSOPVSA-N 2 1 393.575 3.908 20 10 GHCDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000248175414 911827978 /nfs/dbraw/zinc/82/79/78/911827978.db2.gz VMMIQZPAAHXFEQ-ICSRJNTNSA-N 2 1 377.548 3.704 20 10 GHCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000284462364 911877026 /nfs/dbraw/zinc/87/70/26/911877026.db2.gz VCKLUIWCIZWAQR-MRXNPFEDSA-N 2 1 398.503 3.503 20 10 GHCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000756461843 1023664503 /nfs/dbraw/zinc/66/45/03/1023664503.db2.gz WHYWMJVVAHFKGP-QGZVFWFLSA-N 2 1 382.504 3.742 20 10 GHCDMP C[C@@H]1C[C@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c2c1c(F)ccc2O ZINC000756531979 1023701021 /nfs/dbraw/zinc/70/10/21/1023701021.db2.gz BWZQYIZBHUHSCD-UXPWSPDFSA-N 2 1 383.511 3.658 20 10 GHCDMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1cc2c(cc1O)CCCC2 ZINC000756601796 1023731971 /nfs/dbraw/zinc/73/19/71/1023731971.db2.gz BAIUQDMZDDGJHT-JKFKMHIGSA-N 2 1 394.559 3.805 20 10 GHCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1cc2c(cc1O)CCCC2 ZINC000756601796 1023731972 /nfs/dbraw/zinc/73/19/72/1023731972.db2.gz BAIUQDMZDDGJHT-JKFKMHIGSA-N 2 1 394.559 3.805 20 10 GHCDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cc2c(cc1O)CCCC2 ZINC000756601795 1023732133 /nfs/dbraw/zinc/73/21/33/1023732133.db2.gz BAIUQDMZDDGJHT-ANJVHQHFSA-N 2 1 394.559 3.805 20 10 GHCDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cc2c(cc1O)CCCC2 ZINC000756601795 1023732138 /nfs/dbraw/zinc/73/21/38/1023732138.db2.gz BAIUQDMZDDGJHT-ANJVHQHFSA-N 2 1 394.559 3.805 20 10 GHCDMP CCCN(CCC[NH+](C)C)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC001138319600 1024650561 /nfs/dbraw/zinc/65/05/61/1024650561.db2.gz XZLFINRGJQGNKG-UHFFFAOYSA-N 2 1 398.595 3.598 20 10 GHCDMP COC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001139411432 1026283635 /nfs/dbraw/zinc/28/36/35/1026283635.db2.gz LOGUKSRAZAZDIM-HSZRJFAPSA-N 2 1 393.531 3.562 20 10 GHCDMP COC(=O)c1cccc([C@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001139411498 1026283893 /nfs/dbraw/zinc/28/38/93/1026283893.db2.gz OXQPKKZIUHLRDA-HSZRJFAPSA-N 2 1 393.531 3.562 20 10 GHCDMP COc1cccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1O ZINC001203591272 1027456206 /nfs/dbraw/zinc/45/62/06/1027456206.db2.gz GATIWOJNNCDXEQ-NRFANRHFSA-N 2 1 396.531 3.656 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1 ZINC001203931054 1027723282 /nfs/dbraw/zinc/72/32/82/1027723282.db2.gz AGJAUQNCYJRBJB-ZCYQVOJMSA-N 2 1 397.607 3.713 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cc1 ZINC001203931054 1027723301 /nfs/dbraw/zinc/72/33/01/1027723301.db2.gz AGJAUQNCYJRBJB-ZCYQVOJMSA-N 2 1 397.607 3.713 20 10 GHCDMP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142517761 1029022913 /nfs/dbraw/zinc/02/29/13/1029022913.db2.gz ZDFMLGQDKRAJJT-UHFFFAOYSA-N 2 1 387.474 3.942 20 10 GHCDMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142517761 1029022930 /nfs/dbraw/zinc/02/29/30/1029022930.db2.gz ZDFMLGQDKRAJJT-UHFFFAOYSA-N 2 1 387.474 3.942 20 10 GHCDMP Cc1cc(O)c(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1Br ZINC001222615349 1030240335 /nfs/dbraw/zinc/24/03/35/1030240335.db2.gz OKAVIQAYXFSTBM-KRWDZBQOSA-N 2 1 387.321 3.652 20 10 GHCDMP Cc1cc(O)c(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)cc1Br ZINC001222615349 1030240348 /nfs/dbraw/zinc/24/03/48/1030240348.db2.gz OKAVIQAYXFSTBM-KRWDZBQOSA-N 2 1 387.321 3.652 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(-c4ccc(F)cc4F)on3)cc2)CC1 ZINC001461731849 1069708963 /nfs/dbraw/zinc/70/89/63/1069708963.db2.gz RJHDOWQQFYLNOM-UHFFFAOYSA-N 2 1 398.457 3.661 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc1Br ZINC001235156371 1040647620 /nfs/dbraw/zinc/64/76/20/1040647620.db2.gz GMCUDGWZDZXDIJ-INIZCTEOSA-N 2 1 383.330 3.517 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)Cc1cccc(Br)c1F ZINC001235839933 1041368029 /nfs/dbraw/zinc/36/80/29/1041368029.db2.gz CYQIPHXMFCDSET-UHFFFAOYSA-N 2 1 392.316 3.630 20 10 GHCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001236195213 1041612634 /nfs/dbraw/zinc/61/26/34/1041612634.db2.gz YKXHAVGIUHKETB-QFIPXVFZSA-N 2 1 376.504 3.620 20 10 GHCDMP Oc1ccc2cc(Br)ccc2c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321364 1041670216 /nfs/dbraw/zinc/67/02/16/1041670216.db2.gz ISICQINMNHEFNX-GASCZTMLSA-N 2 1 375.310 3.739 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C[C@@H]3CCC[NH2+]C3)C3CCCC3)cc2)CC1 ZINC001236375977 1041687232 /nfs/dbraw/zinc/68/72/32/1041687232.db2.gz NXYIFZHUBUUAIN-JOCHJYFZSA-N 3 1 384.612 3.573 20 10 GHCDMP COc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(O)cc1Br ZINC001236375245 1041687291 /nfs/dbraw/zinc/68/72/91/1041687291.db2.gz JSASWLJYOROKRW-CQSZACIVSA-N 2 1 397.357 3.908 20 10 GHCDMP COc1ccc(Br)c(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1O ZINC001236457915 1041721376 /nfs/dbraw/zinc/72/13/76/1041721376.db2.gz QMTBLHDNURORSS-UHFFFAOYSA-N 2 1 385.346 3.763 20 10 GHCDMP COc1ccc(Br)c(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1O ZINC001236457915 1041721380 /nfs/dbraw/zinc/72/13/80/1041721380.db2.gz QMTBLHDNURORSS-UHFFFAOYSA-N 2 1 385.346 3.763 20 10 GHCDMP Cc1ccc(F)cc1C[N@@H+](Cc1ccc2c(c1)OCCN2C)C1CC[NH2+]CC1 ZINC001236506892 1041744804 /nfs/dbraw/zinc/74/48/04/1041744804.db2.gz SZSHXCRZJKSYNJ-UHFFFAOYSA-N 2 1 383.511 3.717 20 10 GHCDMP Cc1ccc(F)cc1C[N@H+](Cc1ccc2c(c1)OCCN2C)C1CC[NH2+]CC1 ZINC001236506892 1041744813 /nfs/dbraw/zinc/74/48/13/1041744813.db2.gz SZSHXCRZJKSYNJ-UHFFFAOYSA-N 2 1 383.511 3.717 20 10 GHCDMP c1ccc2oc(-c3ccc(N4CC[NH+](C[C@@H]5CCC[NH2+]C5)CC4)cc3)nc2c1 ZINC001237257593 1042111066 /nfs/dbraw/zinc/11/10/66/1042111066.db2.gz HSUWXIMBYQDNAJ-GOSISDBHSA-N 2 1 376.504 3.616 20 10 GHCDMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1c(C)cccc1O)CC2 ZINC001237486723 1042229861 /nfs/dbraw/zinc/22/98/61/1042229861.db2.gz TUYXZKSZAXCIPX-NRFANRHFSA-N 2 1 395.547 3.599 20 10 GHCDMP C[N@@H+](CCc1cccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1)C1CC1 ZINC001308351924 1049955644 /nfs/dbraw/zinc/95/56/44/1049955644.db2.gz AGSSMDIMYMGPER-UHFFFAOYSA-N 2 1 378.564 3.687 20 10 GHCDMP CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337082507 1052394523 /nfs/dbraw/zinc/39/45/23/1052394523.db2.gz KOCQMJRXWLCDNC-KSFYIVLOSA-N 2 1 389.490 3.582 20 10 GHCDMP CCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H](O)c1ccccc1 ZINC001344379821 1054404040 /nfs/dbraw/zinc/40/40/40/1054404040.db2.gz DHJPGCREWITSNG-GMAHTHKFSA-N 2 1 385.527 3.569 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCc3ccccc3C(F)(F)F)cc2F)CC1 ZINC001318366635 1054590615 /nfs/dbraw/zinc/59/06/15/1054590615.db2.gz DBZWAMQSKAWYLW-UHFFFAOYSA-N 2 1 395.444 3.929 20 10 GHCDMP CCN(CC)[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccccc1 ZINC001318419173 1054626811 /nfs/dbraw/zinc/62/68/11/1054626811.db2.gz UODQJSMIUMWOKM-XMMPIXPASA-N 2 1 398.570 3.750 20 10 GHCDMP Cc1[nH]c2ccc(C[NH2+]Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)cc2c1C ZINC001322610160 1056767917 /nfs/dbraw/zinc/76/79/17/1056767917.db2.gz BAVAHQJLDHNAIM-UHFFFAOYSA-N 2 1 380.511 3.965 20 10 GHCDMP C[C@H](CCOCc1ccccc1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323677277 1056998537 /nfs/dbraw/zinc/99/85/37/1056998537.db2.gz LLDMCOPEMKAORW-LJQANCHMSA-N 2 1 385.527 3.663 20 10 GHCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001323828484 1057020314 /nfs/dbraw/zinc/02/03/14/1057020314.db2.gz AAEXWFDEQATGKF-QMMLZNLJSA-N 2 1 380.532 3.995 20 10 GHCDMP COc1ccc(N2CCC([NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000165313105 854840213 /nfs/dbraw/zinc/84/02/13/854840213.db2.gz NYUQKBQUYRSWKS-JOCHJYFZSA-N 2 1 393.575 3.818 20 10 GHCDMP CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000764463050 859457888 /nfs/dbraw/zinc/45/78/88/859457888.db2.gz IOJFMODZCSRXDT-NHCUHLMSSA-N 2 1 386.609 3.844 20 10 GHCDMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764746801 859589885 /nfs/dbraw/zinc/58/98/85/859589885.db2.gz RFIPZVLLFXLKKI-SFHVURJKSA-N 2 1 377.548 3.968 20 10 GHCDMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764746801 859589891 /nfs/dbraw/zinc/58/98/91/859589891.db2.gz RFIPZVLLFXLKKI-SFHVURJKSA-N 2 1 377.548 3.968 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCn4cccc4[C@@H]3c3ccccc3)cc2)CC1 ZINC000775650122 872350273 /nfs/dbraw/zinc/35/02/73/872350273.db2.gz QSJBYCGSGFZBMX-VWLOTQADSA-N 2 1 386.543 3.845 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCn4cccc4[C@@H]3c3ccccc3)cc2)CC1 ZINC000775650122 872350293 /nfs/dbraw/zinc/35/02/93/872350293.db2.gz QSJBYCGSGFZBMX-VWLOTQADSA-N 2 1 386.543 3.845 20 10 GHCDMP C[N@@H+](Cc1csc(Br)c1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775659802 872445112 /nfs/dbraw/zinc/44/51/12/872445112.db2.gz NTCNMIXKQRJKIY-UHFFFAOYSA-N 2 1 394.382 3.894 20 10 GHCDMP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000775741223 873346154 /nfs/dbraw/zinc/34/61/54/873346154.db2.gz YMAALMRRVCJQJR-KBXCAEBGSA-N 2 1 379.342 3.912 20 10 GHCDMP Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000775741223 873346168 /nfs/dbraw/zinc/34/61/68/873346168.db2.gz YMAALMRRVCJQJR-KBXCAEBGSA-N 2 1 379.342 3.912 20 10 GHCDMP Cc1cc(Br)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000775741223 873346180 /nfs/dbraw/zinc/34/61/80/873346180.db2.gz YMAALMRRVCJQJR-KBXCAEBGSA-N 2 1 379.342 3.912 20 10 GHCDMP Cc1cc(Br)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000775741223 873346195 /nfs/dbraw/zinc/34/61/95/873346195.db2.gz YMAALMRRVCJQJR-KBXCAEBGSA-N 2 1 379.342 3.912 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3(c4ccc(F)cc4)CCC3)cc2F)CC1 ZINC001199950950 875250965 /nfs/dbraw/zinc/25/09/65/875250965.db2.gz CZWVGLGZYNOBDE-UHFFFAOYSA-N 2 1 385.502 3.928 20 10 GHCDMP CC[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Oc1ccccc1F ZINC001200912267 875389185 /nfs/dbraw/zinc/38/91/85/875389185.db2.gz YJJFPLUDVAQXJJ-GOSISDBHSA-N 2 1 389.490 3.664 20 10 GHCDMP COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000850242322 876752452 /nfs/dbraw/zinc/75/24/52/876752452.db2.gz PDMXGZLKVCITSN-HXUWFJFHSA-N 2 1 398.547 3.555 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(C(F)(F)F)c1O ZINC000850509754 876981729 /nfs/dbraw/zinc/98/17/29/876981729.db2.gz RZKVWRJBKGOGOS-PBHICJAKSA-N 2 1 394.437 3.828 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc(C(F)(F)F)c1O ZINC000850509754 876981733 /nfs/dbraw/zinc/98/17/33/876981733.db2.gz RZKVWRJBKGOGOS-PBHICJAKSA-N 2 1 394.437 3.828 20 10 GHCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2oc3ccccc3c2cc1O ZINC000746647361 877198442 /nfs/dbraw/zinc/19/84/42/877198442.db2.gz IILLTRYEJOFPNA-ZDWFVDTJSA-N 2 1 380.488 3.975 20 10 GHCDMP CCN(Cc1ccccc1)c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000809743689 887778290 /nfs/dbraw/zinc/77/82/90/887778290.db2.gz ZQMVMJFUZKYHSY-UHFFFAOYSA-N 2 1 394.607 3.782 20 10 GHCDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C2)CC1 ZINC000809757010 887799013 /nfs/dbraw/zinc/79/90/13/887799013.db2.gz VSYHZDHWBQQFRB-FQEVSTJZSA-N 2 1 386.540 3.749 20 10 GHCDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000186999470 908016495 /nfs/dbraw/zinc/01/64/95/908016495.db2.gz WSJZOQGHCRTXQD-INIZCTEOSA-N 2 1 398.389 3.531 20 10 GHCDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(N2CCCCC2)c(F)c1 ZINC000248175417 911828382 /nfs/dbraw/zinc/82/83/82/911828382.db2.gz VMMIQZPAAHXFEQ-QUCCMNQESA-N 2 1 377.548 3.704 20 10 GHCDMP CN1CCOc2cc(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc21 ZINC001141143969 1023580837 /nfs/dbraw/zinc/58/08/37/1023580837.db2.gz QJKKLGJYSVOAAO-DEOSSOPVSA-N 2 1 377.532 3.613 20 10 GHCDMP CN1CCOc2cc(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc21 ZINC001141143969 1023580840 /nfs/dbraw/zinc/58/08/40/1023580840.db2.gz QJKKLGJYSVOAAO-DEOSSOPVSA-N 2 1 377.532 3.613 20 10 GHCDMP CN1CCOc2cc(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)ccc21 ZINC001141143969 1023580842 /nfs/dbraw/zinc/58/08/42/1023580842.db2.gz QJKKLGJYSVOAAO-DEOSSOPVSA-N 2 1 377.532 3.613 20 10 GHCDMP CN1CCOc2cc(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc21 ZINC001141143969 1023580846 /nfs/dbraw/zinc/58/08/46/1023580846.db2.gz QJKKLGJYSVOAAO-DEOSSOPVSA-N 2 1 377.532 3.613 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cc2c(cc1O)CCCC2 ZINC000756361035 1023604748 /nfs/dbraw/zinc/60/47/48/1023604748.db2.gz FOWQCGIKQYTJMU-GOSISDBHSA-N 2 1 380.532 3.954 20 10 GHCDMP COc1ccc(C2=CC[N@@H+](Cc3cc(C[NH+](C)C)c(O)c(OC)c3)CC2)cc1 ZINC001139259959 1026110159 /nfs/dbraw/zinc/11/01/59/1026110159.db2.gz FMPYIDOYFMBXEB-UHFFFAOYSA-N 2 1 382.504 3.760 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001139411493 1026283466 /nfs/dbraw/zinc/28/34/66/1026283466.db2.gz OWEJASBDACMNHY-UHFFFAOYSA-N 3 1 384.612 3.667 20 10 GHCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001139411493 1026283474 /nfs/dbraw/zinc/28/34/74/1026283474.db2.gz OWEJASBDACMNHY-UHFFFAOYSA-N 2 1 384.612 3.667 20 10 GHCDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C/C=C\c3ccc(N(C)C)cc3)c2)CCO1 ZINC001461097083 1069387683 /nfs/dbraw/zinc/38/76/83/1069387683.db2.gz BCUSDGDQRDWCKN-DASIIQCKSA-N 2 1 379.548 3.776 20 10 GHCDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C/C=C\c3ccc(N(C)C)cc3)c2)CCO1 ZINC001461097083 1069387686 /nfs/dbraw/zinc/38/76/86/1069387686.db2.gz BCUSDGDQRDWCKN-DASIIQCKSA-N 2 1 379.548 3.776 20 10 GHCDMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000843050867 1029786684 /nfs/dbraw/zinc/78/66/84/1029786684.db2.gz AKNIXZSGGLVOGQ-NVXWUHKLSA-N 2 1 380.374 3.999 20 10 GHCDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000843050867 1029786689 /nfs/dbraw/zinc/78/66/89/1029786689.db2.gz AKNIXZSGGLVOGQ-NVXWUHKLSA-N 2 1 380.374 3.999 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143107789 1029844667 /nfs/dbraw/zinc/84/46/67/1029844667.db2.gz CIRDGKLWUNHZFK-YKSBVNFPSA-N 2 1 386.580 3.870 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1Br ZINC001222167055 1029984741 /nfs/dbraw/zinc/98/47/41/1029984741.db2.gz HGCCHWLAMMHHKE-IBGZPJMESA-N 2 1 397.357 3.909 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1Br ZINC001222167055 1029984743 /nfs/dbraw/zinc/98/47/43/1029984743.db2.gz HGCCHWLAMMHHKE-IBGZPJMESA-N 2 1 397.357 3.909 20 10 GHCDMP Clc1cc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC001222168205 1029985885 /nfs/dbraw/zinc/98/58/85/1029985885.db2.gz XKUKDXPGTRIOSZ-QFIPXVFZSA-N 2 1 391.987 3.922 20 10 GHCDMP Clc1cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC001222168205 1029985890 /nfs/dbraw/zinc/98/58/90/1029985890.db2.gz XKUKDXPGTRIOSZ-QFIPXVFZSA-N 2 1 391.987 3.922 20 10 GHCDMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1cc(C)n(-c3ccccc3)c1C)CC[NH2+]CC2 ZINC001222221409 1030016549 /nfs/dbraw/zinc/01/65/49/1030016549.db2.gz MOAUIKCEVJXQDM-QFIPXVFZSA-N 2 1 395.547 3.601 20 10 GHCDMP Cc1cccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1O ZINC001231593670 1034749298 /nfs/dbraw/zinc/74/92/98/1034749298.db2.gz YKCLAWUCANZXMG-VWNXMTODSA-N 2 1 384.564 3.661 20 10 GHCDMP Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1O ZINC001231593670 1034749308 /nfs/dbraw/zinc/74/93/08/1034749308.db2.gz YKCLAWUCANZXMG-VWNXMTODSA-N 2 1 384.564 3.661 20 10 GHCDMP Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c1O ZINC001231593670 1034749324 /nfs/dbraw/zinc/74/93/24/1034749324.db2.gz YKCLAWUCANZXMG-VWNXMTODSA-N 2 1 384.564 3.661 20 10 GHCDMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC001246793627 1037633110 /nfs/dbraw/zinc/63/31/10/1037633110.db2.gz VATMWGCPGKOTGC-VWNXMTODSA-N 2 1 397.538 3.896 20 10 GHCDMP Cc1cc(F)ccc1[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC[NH2+]1 ZINC001246793627 1037633156 /nfs/dbraw/zinc/63/31/56/1037633156.db2.gz VATMWGCPGKOTGC-VWNXMTODSA-N 2 1 397.538 3.896 20 10 GHCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@H](Oc3ccncc3)C2)c1O ZINC001233111767 1038903435 /nfs/dbraw/zinc/90/34/35/1038903435.db2.gz WXJWQEUWZZVIJY-KRWDZBQOSA-N 2 1 377.282 3.902 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c(O)c1 ZINC001235251982 1040733281 /nfs/dbraw/zinc/73/32/81/1040733281.db2.gz YOGIWBVTKSESRZ-ISKFKSNPSA-N 2 1 379.548 3.960 20 10 GHCDMP CCOC(=O)c1c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c2ccccc2n1C ZINC001235427128 1040929207 /nfs/dbraw/zinc/92/92/07/1040929207.db2.gz MYJWHBRNGOSSPQ-ZWKOTPCHSA-N 2 1 383.536 3.567 20 10 GHCDMP C[N@@H+](CCC=C1c2ccccc2CCc2ccccc21)CC[C@@H]1C[NH2+]CCO1 ZINC001236102783 1041535814 /nfs/dbraw/zinc/53/58/14/1041535814.db2.gz RZZCLCVVEMMCOW-JOCHJYFZSA-N 2 1 376.544 3.917 20 10 GHCDMP CCOC(=O)c1c(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c2ccccc2n1C ZINC001236572169 1041766630 /nfs/dbraw/zinc/76/66/30/1041766630.db2.gz JWQYBSBIRYLPKG-SAABIXHNSA-N 2 1 383.536 3.979 20 10 GHCDMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001236691072 1041833997 /nfs/dbraw/zinc/83/39/97/1041833997.db2.gz ZLVWXXUTKKDYHS-HZCBDIJESA-N 2 1 397.538 3.934 20 10 GHCDMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(OCc3ccccc3)ccc1O)CC2 ZINC001236780346 1041888226 /nfs/dbraw/zinc/88/82/26/1041888226.db2.gz JOKYNCSXACKJTR-UHFFFAOYSA-N 2 1 395.503 3.601 20 10 GHCDMP CCc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c(O)c1 ZINC001236788403 1041894618 /nfs/dbraw/zinc/89/46/18/1041894618.db2.gz TXXJXDDUVOGMMD-HXUWFJFHSA-N 2 1 384.520 3.803 20 10 GHCDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001256523122 1043447035 /nfs/dbraw/zinc/44/70/35/1043447035.db2.gz NCKLINWKSZIMTP-URXFXBBRSA-N 3 1 392.591 3.581 20 10 GHCDMP Cc1cccc(C)c1OC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318368117 1054590968 /nfs/dbraw/zinc/59/09/68/1054590968.db2.gz QPUOBUWBEDSFEK-LJQANCHMSA-N 2 1 385.527 3.751 20 10 GHCDMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001200704850 1056772799 /nfs/dbraw/zinc/77/27/99/1056772799.db2.gz WSZDDWBCNYOZLK-UKILVPOCSA-N 2 1 393.575 3.650 20 10 GHCDMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001200704850 1056772805 /nfs/dbraw/zinc/77/28/05/1056772805.db2.gz WSZDDWBCNYOZLK-UKILVPOCSA-N 2 1 393.575 3.650 20 10 GHCDMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000160508940 858964001 /nfs/dbraw/zinc/96/40/01/858964001.db2.gz ZZAUSWSMEUSJHX-QGZVFWFLSA-N 2 1 375.532 3.720 20 10 GHCDMP Cc1cc(N(C)C)ccc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856559205 881438887 /nfs/dbraw/zinc/43/88/87/881438887.db2.gz PGGKAFHYFJVACZ-XMMPIXPASA-N 2 1 396.579 3.950 20 10 GHCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856559205 881438895 /nfs/dbraw/zinc/43/88/95/881438895.db2.gz PGGKAFHYFJVACZ-XMMPIXPASA-N 2 1 396.579 3.950 20 10 GHCDMP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856559205 881438902 /nfs/dbraw/zinc/43/89/02/881438902.db2.gz PGGKAFHYFJVACZ-XMMPIXPASA-N 2 1 396.579 3.950 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc2)CC1 ZINC000775679188 872810508 /nfs/dbraw/zinc/81/05/08/872810508.db2.gz PYSZGCDZQZUTJG-QHCPKHFHSA-N 3 1 384.612 3.526 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc2)CC1 ZINC000775679188 872810524 /nfs/dbraw/zinc/81/05/24/872810524.db2.gz PYSZGCDZQZUTJG-QHCPKHFHSA-N 3 1 384.612 3.526 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)C2)cc1 ZINC000850347051 876838979 /nfs/dbraw/zinc/83/89/79/876838979.db2.gz MRPFGLPHDRFTMW-BVSLBCMMSA-N 2 1 379.548 3.917 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)C2)cc1 ZINC000850347051 876838987 /nfs/dbraw/zinc/83/89/87/876838987.db2.gz MRPFGLPHDRFTMW-BVSLBCMMSA-N 2 1 379.548 3.917 20 10 GHCDMP Oc1cc2c(cc1C[NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CC13CCC3)OCO2 ZINC000850401994 876882446 /nfs/dbraw/zinc/88/24/46/876882446.db2.gz CNQCPIHFHUBXLP-IBGZPJMESA-N 2 1 380.488 3.513 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cc2c(cc1O)CCCC2 ZINC000850508035 876980280 /nfs/dbraw/zinc/98/02/80/876980280.db2.gz JWPKKBZGPXWSIH-VGOFRKELSA-N 2 1 380.532 3.688 20 10 GHCDMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c2ccccc21 ZINC000817887710 895931102 /nfs/dbraw/zinc/93/11/02/895931102.db2.gz CPGCDCJTVLKDAF-VQTJNVASSA-N 2 1 391.437 3.776 20 10 GHCDMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144509950 902310527 /nfs/dbraw/zinc/31/05/27/902310527.db2.gz OJBIIPOFOQVEOW-DKSSEZFCSA-N 2 1 388.533 3.597 20 10 GHCDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144509950 902310536 /nfs/dbraw/zinc/31/05/36/902310536.db2.gz OJBIIPOFOQVEOW-DKSSEZFCSA-N 2 1 388.533 3.597 20 10 GHCDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144509950 902310541 /nfs/dbraw/zinc/31/05/41/902310541.db2.gz OJBIIPOFOQVEOW-DKSSEZFCSA-N 2 1 388.533 3.597 20 10 GHCDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000749287494 927035921 /nfs/dbraw/zinc/03/59/21/927035921.db2.gz OHRXMODTVYVHAY-GBXCKJPGSA-N 2 1 379.548 3.523 20 10 GHCDMP CN(Cc1cccs1)c1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000830231540 935917727 /nfs/dbraw/zinc/91/77/27/935917727.db2.gz HWEQLTCDWUXGST-UHFFFAOYSA-N 2 1 386.609 3.502 20 10 GHCDMP CC[N@H+]1CCCC[C@H]1c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC001156658829 1033161554 /nfs/dbraw/zinc/16/15/54/1033161554.db2.gz GWHHFZHTVYEIRU-QHCPKHFHSA-N 2 1 393.579 3.992 20 10 GHCDMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(N4CCOCC4)cc2)CC3)co1 ZINC001138495514 1024928730 /nfs/dbraw/zinc/92/87/30/1024928730.db2.gz CYTQAAOMGBAZJK-UHFFFAOYSA-N 2 1 395.547 3.604 20 10 GHCDMP COc1cc(C[N@@H+](C)Cc2ccc(Br)cc2)cc(C[NH+](C)C)c1O ZINC001139257259 1026108158 /nfs/dbraw/zinc/10/81/58/1026108158.db2.gz WDXMQZBOPNPDPA-UHFFFAOYSA-N 2 1 393.325 3.857 20 10 GHCDMP COc1cccc([C@@H]2CSCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001139411551 1026283400 /nfs/dbraw/zinc/28/34/00/1026283400.db2.gz RGKMXQJXTXTZTH-QHCPKHFHSA-N 2 1 397.588 3.737 20 10 GHCDMP Cc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ccc1N(C)C ZINC001139671500 1026525956 /nfs/dbraw/zinc/52/59/56/1026525956.db2.gz XDBKLMKPBXHMCY-UHFFFAOYSA-N 2 1 399.604 3.990 20 10 GHCDMP Cc1cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ccc1N(C)C ZINC001139671500 1026525963 /nfs/dbraw/zinc/52/59/63/1026525963.db2.gz XDBKLMKPBXHMCY-UHFFFAOYSA-N 2 1 399.604 3.990 20 10 GHCDMP CCN(CC)c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1F ZINC001461151049 1069414958 /nfs/dbraw/zinc/41/49/58/1069414958.db2.gz RCCPGWLAHCZPDO-UHFFFAOYSA-N 2 1 398.570 3.709 20 10 GHCDMP CCN(CC)c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203938380 1027730527 /nfs/dbraw/zinc/73/05/27/1027730527.db2.gz BWDCJCJIVOBPLH-PKTZIBPZSA-N 2 1 378.564 3.882 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203938380 1027730542 /nfs/dbraw/zinc/73/05/42/1027730542.db2.gz BWDCJCJIVOBPLH-PKTZIBPZSA-N 2 1 378.564 3.882 20 10 GHCDMP CCN(CC)c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203938380 1027730559 /nfs/dbraw/zinc/73/05/59/1027730559.db2.gz BWDCJCJIVOBPLH-PKTZIBPZSA-N 2 1 378.564 3.882 20 10 GHCDMP CCN(CC)c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001203938380 1027730574 /nfs/dbraw/zinc/73/05/74/1027730574.db2.gz BWDCJCJIVOBPLH-PKTZIBPZSA-N 2 1 378.564 3.882 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCC3CC3)C2)cc1 ZINC001203938417 1027731874 /nfs/dbraw/zinc/73/18/74/1027731874.db2.gz CTNZILNATWSYMW-ISKFKSNPSA-N 2 1 385.596 3.713 20 10 GHCDMP CCN(CC)c1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC001203938417 1027731888 /nfs/dbraw/zinc/73/18/88/1027731888.db2.gz CTNZILNATWSYMW-ISKFKSNPSA-N 2 1 385.596 3.713 20 10 GHCDMP CCN(CC)c1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCC2CC2)cc1 ZINC001203938417 1027731908 /nfs/dbraw/zinc/73/19/08/1027731908.db2.gz CTNZILNATWSYMW-ISKFKSNPSA-N 2 1 385.596 3.713 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COC)C2)cc1 ZINC001203940442 1027735673 /nfs/dbraw/zinc/73/56/73/1027735673.db2.gz ZCYYRJAKEDLOAU-UPVQGACJSA-N 2 1 385.596 3.713 20 10 GHCDMP [NH3+]CCCOC1CC[NH+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000843355907 1029933277 /nfs/dbraw/zinc/93/32/77/1029933277.db2.gz MDPPXFXRWYKVKQ-UHFFFAOYSA-N 2 1 395.507 3.870 20 10 GHCDMP Cc1cc(C)c(C[NH+]2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(O)c1 ZINC001231846000 1034939651 /nfs/dbraw/zinc/93/96/51/1034939651.db2.gz XCXKCAXQVPNJEV-UHFFFAOYSA-N 2 1 395.547 3.519 20 10 GHCDMP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(O)c1 ZINC001231845082 1034939846 /nfs/dbraw/zinc/93/98/46/1034939846.db2.gz UHZYEHPRDJPLPT-URVUXULASA-N 2 1 382.552 3.579 20 10 GHCDMP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c(O)c1 ZINC001231845082 1034939847 /nfs/dbraw/zinc/93/98/47/1034939847.db2.gz UHZYEHPRDJPLPT-URVUXULASA-N 2 1 382.552 3.579 20 10 GHCDMP Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)c(O)c1 ZINC001231845082 1034939849 /nfs/dbraw/zinc/93/98/49/1034939849.db2.gz UHZYEHPRDJPLPT-URVUXULASA-N 2 1 382.552 3.579 20 10 GHCDMP COc1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208927669 1035092645 /nfs/dbraw/zinc/09/26/45/1035092645.db2.gz BRLRYSKRKYORMH-QFIPXVFZSA-N 2 1 379.548 3.729 20 10 GHCDMP COc1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208927669 1035092655 /nfs/dbraw/zinc/09/26/55/1035092655.db2.gz BRLRYSKRKYORMH-QFIPXVFZSA-N 2 1 379.548 3.729 20 10 GHCDMP CC[C@H]1C[C@H]([NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)CC[NH2+]1 ZINC001247004348 1037829034 /nfs/dbraw/zinc/82/90/34/1037829034.db2.gz PDDSFVLKXSJJIV-JTHBVZDNSA-N 2 1 379.548 3.918 20 10 GHCDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cc(C(C)(C)C)ccc3O)C2)C1 ZINC001233284984 1039060656 /nfs/dbraw/zinc/06/06/56/1039060656.db2.gz ORMQRIRDAPWEMZ-ZJSXRUAMSA-N 2 1 386.580 3.870 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc1Br ZINC001235156374 1040649285 /nfs/dbraw/zinc/64/92/85/1040649285.db2.gz GMCUDGWZDZXDIJ-MRXNPFEDSA-N 2 1 383.330 3.517 20 10 GHCDMP CCOC(=O)c1c(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c2ccccc2n1C ZINC001235162871 1040655705 /nfs/dbraw/zinc/65/57/05/1040655705.db2.gz XOGJGVKENZSGRU-HXUWFJFHSA-N 2 1 383.536 3.709 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(O)c1 ZINC001235366651 1040860263 /nfs/dbraw/zinc/86/02/63/1040860263.db2.gz DWWYPLDDKMUAQQ-RDGATRHJSA-N 2 1 393.575 3.992 20 10 GHCDMP Oc1cc2c(cc1C[N@@H+]1CCSC[C@H]1c1cccc(Cl)c1)C[NH2+]CCO2 ZINC001235946631 1041451149 /nfs/dbraw/zinc/45/11/49/1041451149.db2.gz NSLSFMMEMHGNDN-SFHVURJKSA-N 2 1 390.936 3.818 20 10 GHCDMP Oc1cc2c(cc1C[N@H+]1CCSC[C@H]1c1cccc(Cl)c1)C[NH2+]CCO2 ZINC001235946631 1041451163 /nfs/dbraw/zinc/45/11/63/1041451163.db2.gz NSLSFMMEMHGNDN-SFHVURJKSA-N 2 1 390.936 3.818 20 10 GHCDMP COC(=O)c1c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c2ccccc2n1C ZINC001236374203 1041686291 /nfs/dbraw/zinc/68/62/91/1041686291.db2.gz CDDFSLBEMJSESV-QGZVFWFLSA-N 2 1 383.536 3.709 20 10 GHCDMP CC(C)C[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236553060 1041759925 /nfs/dbraw/zinc/75/99/25/1041759925.db2.gz WJSFLAKREKBCSQ-WGSAOQKQSA-N 2 1 379.976 3.905 20 10 GHCDMP COc1cc(O)c(C[N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)cc1OC ZINC001236561087 1041763059 /nfs/dbraw/zinc/76/30/59/1041763059.db2.gz LXVMKBAHHZVGND-MXVIHJGJSA-N 2 1 384.520 3.990 20 10 GHCDMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001236742012 1041868461 /nfs/dbraw/zinc/86/84/61/1041868461.db2.gz LHXSLMLTNZUQDU-HCGLCNNCSA-N 3 1 396.554 3.507 20 10 GHCDMP COc1cc(O)c(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC001236751453 1041871652 /nfs/dbraw/zinc/87/16/52/1041871652.db2.gz DWPIKMKODISYSY-UHFFFAOYSA-N 2 1 384.520 3.753 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](CC(C)(C)C)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC001236768100 1041879823 /nfs/dbraw/zinc/87/98/23/1041879823.db2.gz RDRRPBHSRNUKFF-AFARHQOCSA-N 3 1 386.628 3.947 20 10 GHCDMP CC(C)c1ccc(C[NH+]2CCC3(CCC[N@@H+]3Cc3cnn(C)c3)CC2)c(O)c1 ZINC001237047911 1042006985 /nfs/dbraw/zinc/00/69/85/1042006985.db2.gz GAVVHOOBOABLBH-UHFFFAOYSA-N 2 1 382.552 3.880 20 10 GHCDMP CC(C)c1ccc(C[NH+]2CCC3(CCC[N@H+]3Cc3cnn(C)c3)CC2)c(O)c1 ZINC001237047911 1042006992 /nfs/dbraw/zinc/00/69/92/1042006992.db2.gz GAVVHOOBOABLBH-UHFFFAOYSA-N 2 1 382.552 3.880 20 10 GHCDMP COc1cc(O)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC001237060511 1042015287 /nfs/dbraw/zinc/01/52/87/1042015287.db2.gz SRBHMTZBQPRZJF-UHFFFAOYSA-N 2 1 385.346 3.716 20 10 GHCDMP CCN(CC)c1ccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)c(O)c1 ZINC001237289131 1042126469 /nfs/dbraw/zinc/12/64/69/1042126469.db2.gz MIYYUHMNYDYYPD-UHFFFAOYSA-N 2 1 379.548 3.875 20 10 GHCDMP COc1ccc([C@H](C)CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001319108104 1055041796 /nfs/dbraw/zinc/04/17/96/1055041796.db2.gz JNEHREAICUNPKR-GOSISDBHSA-N 2 1 385.527 3.870 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]C(C)(C)c3ccc(F)c(F)c3)cc2F)CC1 ZINC001322375011 1056659372 /nfs/dbraw/zinc/65/93/72/1056659372.db2.gz UGAFLCFORMMXJU-UHFFFAOYSA-N 2 1 377.454 3.881 20 10 GHCDMP COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1O ZINC000848524354 1057148342 /nfs/dbraw/zinc/14/83/42/1057148342.db2.gz ICESMAIDKWROAB-UONOGXRCSA-N 2 1 385.346 3.934 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCOc3ccc4ccccc4c3)cc2F)CC1 ZINC001338752294 1058764006 /nfs/dbraw/zinc/76/40/06/1058764006.db2.gz WRFHKAQUWYEVNP-UHFFFAOYSA-N 2 1 393.506 3.899 20 10 GHCDMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001200244814 1065723794 /nfs/dbraw/zinc/72/37/94/1065723794.db2.gz YMSWVDHQQDUXKH-KNQAVFIVSA-N 2 1 396.554 3.503 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1OC ZINC000160435036 839084849 /nfs/dbraw/zinc/08/48/49/839084849.db2.gz NSSAOHUDHQLXHN-CTNGQTDRSA-N 2 1 396.531 3.896 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1OC ZINC000160435036 839084859 /nfs/dbraw/zinc/08/48/59/839084859.db2.gz NSSAOHUDHQLXHN-CTNGQTDRSA-N 2 1 396.531 3.896 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1OC ZINC000160435036 839084865 /nfs/dbraw/zinc/08/48/65/839084865.db2.gz NSSAOHUDHQLXHN-CTNGQTDRSA-N 2 1 396.531 3.896 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1OC ZINC000160435036 839084873 /nfs/dbraw/zinc/08/48/73/839084873.db2.gz NSSAOHUDHQLXHN-CTNGQTDRSA-N 2 1 396.531 3.896 20 10 GHCDMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000125776112 843121267 /nfs/dbraw/zinc/12/12/67/843121267.db2.gz CFLQEBLIXNENAS-ROUUACIJSA-N 2 1 379.976 3.948 20 10 GHCDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000125776112 843121273 /nfs/dbraw/zinc/12/12/73/843121273.db2.gz CFLQEBLIXNENAS-ROUUACIJSA-N 2 1 379.976 3.948 20 10 GHCDMP CCc1cccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1O ZINC000856557800 881406584 /nfs/dbraw/zinc/40/65/84/881406584.db2.gz BYOBWTGXELAEAL-QFIPXVFZSA-N 2 1 383.536 3.843 20 10 GHCDMP CCc1cccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1O ZINC000856557800 881406588 /nfs/dbraw/zinc/40/65/88/881406588.db2.gz BYOBWTGXELAEAL-QFIPXVFZSA-N 2 1 383.536 3.843 20 10 GHCDMP CCc1cccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1O ZINC000856557800 881406592 /nfs/dbraw/zinc/40/65/92/881406592.db2.gz BYOBWTGXELAEAL-QFIPXVFZSA-N 2 1 383.536 3.843 20 10 GHCDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664746 872488851 /nfs/dbraw/zinc/48/88/51/872488851.db2.gz PJYULYDVNFDGDI-GMAHTHKFSA-N 2 1 384.612 3.525 20 10 GHCDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664746 872488859 /nfs/dbraw/zinc/48/88/59/872488859.db2.gz PJYULYDVNFDGDI-GMAHTHKFSA-N 3 1 384.612 3.525 20 10 GHCDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664746 872488864 /nfs/dbraw/zinc/48/88/64/872488864.db2.gz PJYULYDVNFDGDI-GMAHTHKFSA-N 3 1 384.612 3.525 20 10 GHCDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664746 872488875 /nfs/dbraw/zinc/48/88/75/872488875.db2.gz PJYULYDVNFDGDI-GMAHTHKFSA-N 3 1 384.612 3.525 20 10 GHCDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664746 872488880 /nfs/dbraw/zinc/48/88/80/872488880.db2.gz PJYULYDVNFDGDI-GMAHTHKFSA-N 3 1 384.612 3.525 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccco3)Cc3ccc(O)cc3)cc2)CC1 ZINC000775679065 872810375 /nfs/dbraw/zinc/81/03/75/872810375.db2.gz LVXYAUXNTNJBQS-UHFFFAOYSA-N 2 1 391.515 3.939 20 10 GHCDMP CN1CCN(c2ccc(C[NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)cc2)CC1 ZINC001199021488 874749371 /nfs/dbraw/zinc/74/93/71/874749371.db2.gz JNZPPSRQWIVESB-UHFFFAOYSA-N 2 1 392.591 3.714 20 10 GHCDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566381 877033476 /nfs/dbraw/zinc/03/34/76/877033476.db2.gz NAXMBOBLOKCZIK-CJFMBICVSA-N 2 1 393.575 3.648 20 10 GHCDMP COc1cc(Cl)cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1O ZINC000789769128 879249800 /nfs/dbraw/zinc/24/98/00/879249800.db2.gz LTHPQCOWCVDVDP-UHFFFAOYSA-N 2 1 375.900 3.967 20 10 GHCDMP Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC001185271530 913769929 /nfs/dbraw/zinc/76/99/29/913769929.db2.gz ABUGHFPXMYBAKR-AWEZNQCLSA-N 2 1 385.817 3.958 20 10 GHCDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1c1cccs1 ZINC000877055574 893459417 /nfs/dbraw/zinc/45/94/17/893459417.db2.gz UGMPJTZAOFHVLQ-WMZHIEFXSA-N 2 1 399.604 3.882 20 10 GHCDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1c1cccs1 ZINC000877055574 893459427 /nfs/dbraw/zinc/45/94/27/893459427.db2.gz UGMPJTZAOFHVLQ-WMZHIEFXSA-N 2 1 399.604 3.882 20 10 GHCDMP COc1c(O)c(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000774876235 913854864 /nfs/dbraw/zinc/85/48/64/913854864.db2.gz NGDXTNSGYBACAU-UHFFFAOYSA-N 2 1 399.491 3.653 20 10 GHCDMP COc1c(O)c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000774876235 913854878 /nfs/dbraw/zinc/85/48/78/913854878.db2.gz NGDXTNSGYBACAU-UHFFFAOYSA-N 2 1 399.491 3.653 20 10 GHCDMP COc1ccc(N2CC[C@@H](C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000818220045 896083928 /nfs/dbraw/zinc/08/39/28/896083928.db2.gz HYHSNWFOQAAQFY-NRFANRHFSA-N 2 1 379.548 3.776 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccccc3)[C@@H]3CCCO3)cc2F)CC1 ZINC001177506962 908607156 /nfs/dbraw/zinc/60/71/56/908607156.db2.gz XFVARWZEUPNCKB-GOTSBHOMSA-N 2 1 383.511 3.587 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccccc3)[C@@H]3CCCO3)cc2F)CC1 ZINC001177506966 908607250 /nfs/dbraw/zinc/60/72/50/908607250.db2.gz XFVARWZEUPNCKB-XZOQPEGZSA-N 2 1 383.511 3.587 20 10 GHCDMP CC[NH+]1CCN(c2ccc(CN3CCC[N@@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC001140304813 1021358469 /nfs/dbraw/zinc/35/84/69/1021358469.db2.gz CQNRCKFDOXLFQV-UHFFFAOYSA-N 2 1 392.591 3.536 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCN(Cc4ccccc4)CC3)cc2)CC1 ZINC001140304813 1021358484 /nfs/dbraw/zinc/35/84/84/1021358484.db2.gz CQNRCKFDOXLFQV-UHFFFAOYSA-N 2 1 392.591 3.536 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCN(Cc4ccccc4)CC3)cc2)CC1 ZINC001140304813 1021358497 /nfs/dbraw/zinc/35/84/97/1021358497.db2.gz CQNRCKFDOXLFQV-UHFFFAOYSA-N 2 1 392.591 3.536 20 10 GHCDMP CCCc1noc([C@H]2CCC[N@@H+](Cc3ccc(N4CC[NH+](CC)CC4)cc3)C2)n1 ZINC001140305506 1021359436 /nfs/dbraw/zinc/35/94/36/1021359436.db2.gz ACVZAIHAYNYRGE-FQEVSTJZSA-N 2 1 397.567 3.544 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](Oc4cc(C)ccn4)C3)cc2)CC1 ZINC001140309591 1021370622 /nfs/dbraw/zinc/37/06/22/1021370622.db2.gz MYCPVUZQZRNEMQ-HSZRJFAPSA-N 2 1 394.563 3.575 20 10 GHCDMP Cc1c(O)ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1O ZINC001140744811 1022411320 /nfs/dbraw/zinc/41/13/20/1022411320.db2.gz MLMJNEIOLDDOHQ-NRFANRHFSA-N 2 1 396.531 3.662 20 10 GHCDMP CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(Cl)c1 ZINC001140924451 1022901020 /nfs/dbraw/zinc/90/10/20/1022901020.db2.gz PNLOCQSVWBBWKQ-QUCCMNQESA-N 2 1 384.955 3.755 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(Cl)c1 ZINC001140924451 1022901021 /nfs/dbraw/zinc/90/10/21/1022901021.db2.gz PNLOCQSVWBBWKQ-QUCCMNQESA-N 2 1 384.955 3.755 20 10 GHCDMP CN(C)c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c(Cl)c1 ZINC001140924451 1022901022 /nfs/dbraw/zinc/90/10/22/1022901022.db2.gz PNLOCQSVWBBWKQ-QUCCMNQESA-N 2 1 384.955 3.755 20 10 GHCDMP CN(C)c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c(Cl)c1 ZINC001140924451 1022901027 /nfs/dbraw/zinc/90/10/27/1022901027.db2.gz PNLOCQSVWBBWKQ-QUCCMNQESA-N 2 1 384.955 3.755 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001141029182 1023279702 /nfs/dbraw/zinc/27/97/02/1023279702.db2.gz LKRITYNWMKFVIG-QHCPKHFHSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001141029182 1023279704 /nfs/dbraw/zinc/27/97/04/1023279704.db2.gz LKRITYNWMKFVIG-QHCPKHFHSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001141029182 1023279706 /nfs/dbraw/zinc/27/97/06/1023279706.db2.gz LKRITYNWMKFVIG-QHCPKHFHSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001141029182 1023279709 /nfs/dbraw/zinc/27/97/09/1023279709.db2.gz LKRITYNWMKFVIG-QHCPKHFHSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1cc(C[N@H+]2CCC[C@@H](Oc3ccccc3C)C2)cc(C[NH+](C)C)c1O ZINC001139257112 1026106166 /nfs/dbraw/zinc/10/61/66/1026106166.db2.gz RRWTUDKXJGVAQZ-HXUWFJFHSA-N 2 1 384.520 3.814 20 10 GHCDMP COc1cccc([C@@H]2CCC[N@@H+](Cc3cc(C[NH+](C)C)c(O)c(OC)c3)C2)c1 ZINC001139261101 1026112096 /nfs/dbraw/zinc/11/20/96/1026112096.db2.gz UPDFKAYSJNGGQB-LJQANCHMSA-N 2 1 384.520 3.851 20 10 GHCDMP C[NH+]1CCN(c2ccc(CNC[C@@H]3CCC[N@H+]3CC3CCCCC3)cc2)CC1 ZINC001461153914 1069415882 /nfs/dbraw/zinc/41/58/82/1069415882.db2.gz SXRWSIABAWXUKE-DEOSSOPVSA-N 2 1 384.612 3.573 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCN3CC3CCCCC3)cc2)CC1 ZINC001461153914 1069415888 /nfs/dbraw/zinc/41/58/88/1069415888.db2.gz SXRWSIABAWXUKE-DEOSSOPVSA-N 2 1 384.612 3.573 20 10 GHCDMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccc(OC)c2O)CC3)c1 ZINC001203594440 1027459560 /nfs/dbraw/zinc/45/95/60/1027459560.db2.gz ZFWUJQNEPSXWQA-UHFFFAOYSA-N 2 1 396.531 3.898 20 10 GHCDMP Cc1cc(O)c(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c(Cl)c1 ZINC001461951165 1069910716 /nfs/dbraw/zinc/91/07/16/1069910716.db2.gz ZEMIZOYBPNVNCE-UHFFFAOYSA-N 2 1 387.955 3.604 20 10 GHCDMP Cc1cc(O)c(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c(Cl)c1 ZINC001461951165 1069910719 /nfs/dbraw/zinc/91/07/19/1069910719.db2.gz ZEMIZOYBPNVNCE-UHFFFAOYSA-N 2 1 387.955 3.604 20 10 GHCDMP COc1cc(O)c(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1Br ZINC001233138891 1038917866 /nfs/dbraw/zinc/91/78/66/1038917866.db2.gz DQNUIXJKDPMLIF-UHFFFAOYSA-N 2 1 385.346 3.716 20 10 GHCDMP CCCCN(CCCC)c1ccc(C[N@H+]2CCC[C@@]3(CNCCO3)C2)c(O)c1 ZINC001235117224 1040607571 /nfs/dbraw/zinc/60/75/71/1040607571.db2.gz KWONYIMMXQFGFX-HSZRJFAPSA-N 2 1 389.584 3.753 20 10 GHCDMP COc1cccc([C@@H]2CCCC[N@H+]2Cc2ccc(N3CC[NH2+]CC3)cc2O)c1 ZINC001235726881 1041212420 /nfs/dbraw/zinc/21/24/20/1041212420.db2.gz QWWLNSQJLKNZJJ-QFIPXVFZSA-N 2 1 381.520 3.538 20 10 GHCDMP CC1(C)COC2(CCC([NH2+]C3CC[NH+](Cc4ccccc4O)CC3)CC2)OC1 ZINC001258521440 1044598275 /nfs/dbraw/zinc/59/82/75/1044598275.db2.gz OBZRMCSEPIBVNS-UHFFFAOYSA-N 2 1 388.552 3.658 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCc3nc4ccccc4s3)cc2F)CC1 ZINC001327420427 1050177161 /nfs/dbraw/zinc/17/71/61/1050177161.db2.gz PITWLRHKTJAUOZ-UHFFFAOYSA-N 2 1 384.524 3.520 20 10 GHCDMP COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1O ZINC000848524347 1057148379 /nfs/dbraw/zinc/14/83/79/1057148379.db2.gz ICESMAIDKWROAB-KBPBESRZSA-N 2 1 385.346 3.934 20 10 GHCDMP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001200244815 1065724174 /nfs/dbraw/zinc/72/41/74/1065724174.db2.gz YMSWVDHQQDUXKH-SIKLNZKXSA-N 2 1 396.554 3.503 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOc4c(Cl)cccc43)cc2F)CC1 ZINC001473958529 1074218602 /nfs/dbraw/zinc/21/86/02/1074218602.db2.gz FEEGDMXHDYCUAU-LJQANCHMSA-N 2 1 389.902 3.844 20 10 GHCDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)cc2)CC1 ZINC000160311357 838169853 /nfs/dbraw/zinc/16/98/53/838169853.db2.gz UGQALLQGMDOSHE-FQEVSTJZSA-N 2 1 380.580 3.741 20 10 GHCDMP COc1ccc([C@H]2C[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4O)CC3)CCO2)cc1 ZINC001168619471 855140458 /nfs/dbraw/zinc/14/04/58/855140458.db2.gz ZCQKSMKHRJHCMG-XUZZJYLKSA-N 2 1 396.531 3.875 20 10 GHCDMP CCOc1cccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1O ZINC000856560428 881440255 /nfs/dbraw/zinc/44/02/55/881440255.db2.gz LWWPOIGNDVEIOW-NRFANRHFSA-N 2 1 399.535 3.679 20 10 GHCDMP CCOc1cccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1O ZINC000856560428 881440258 /nfs/dbraw/zinc/44/02/58/881440258.db2.gz LWWPOIGNDVEIOW-NRFANRHFSA-N 2 1 399.535 3.679 20 10 GHCDMP CCOc1cccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1O ZINC000856560428 881440259 /nfs/dbraw/zinc/44/02/59/881440259.db2.gz LWWPOIGNDVEIOW-NRFANRHFSA-N 2 1 399.535 3.679 20 10 GHCDMP C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)C[NH+]1CCCCC1 ZINC000765238038 859852168 /nfs/dbraw/zinc/85/21/68/859852168.db2.gz KJIDJHSPEUJZMH-ROUUACIJSA-N 2 1 379.976 3.949 20 10 GHCDMP CCc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(O)c(C(C)(C)C)c1 ZINC000738168868 865500786 /nfs/dbraw/zinc/50/07/86/865500786.db2.gz BPINOPIZMOPGJR-NRFANRHFSA-N 2 1 387.612 3.854 20 10 GHCDMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)c2cccs2)CC1 ZINC000920957139 882473100 /nfs/dbraw/zinc/47/31/00/882473100.db2.gz KJJWWTBKPKIIOS-JOCHJYFZSA-N 2 1 398.620 3.817 20 10 GHCDMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000857783177 882540633 /nfs/dbraw/zinc/54/06/33/882540633.db2.gz XRNRTVOWJRPBLU-UHFFFAOYSA-N 2 1 377.330 3.505 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C[C@@H](O)c3cccs3)cc2)CC1 ZINC000775736868 873289055 /nfs/dbraw/zinc/28/90/55/873289055.db2.gz YOPOLBCTLHHCLY-NHCUHLMSSA-N 2 1 385.577 3.588 20 10 GHCDMP Oc1ccc(-c2ccccc2)cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000850357775 876848650 /nfs/dbraw/zinc/84/86/50/876848650.db2.gz VEZLUCQFQAIDLR-DEOSSOPVSA-N 2 1 388.511 3.916 20 10 GHCDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877145330 893507774 /nfs/dbraw/zinc/50/77/74/893507774.db2.gz FTXSMKXBWCDMOG-UHFFFAOYSA-N 2 1 381.564 3.778 20 10 GHCDMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(N(C)C)cc1 ZINC000126702294 893799964 /nfs/dbraw/zinc/79/99/64/893799964.db2.gz IILXYEAUPQMWBE-XMMPIXPASA-N 2 1 380.580 3.741 20 10 GHCDMP Oc1ccc(F)cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000816643610 894987047 /nfs/dbraw/zinc/98/70/47/894987047.db2.gz KMHCNONUJPYLKM-HXUWFJFHSA-N 2 1 384.495 3.550 20 10 GHCDMP Cc1ccc(O)c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001140621637 1022094020 /nfs/dbraw/zinc/09/40/20/1022094020.db2.gz NOWSPYCQTXTHIV-JOCHJYFZSA-N 2 1 380.532 3.956 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001141031183 1023296446 /nfs/dbraw/zinc/29/64/46/1023296446.db2.gz YTOZJZJGLHUWBK-DEOSSOPVSA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001141031183 1023296451 /nfs/dbraw/zinc/29/64/51/1023296451.db2.gz YTOZJZJGLHUWBK-DEOSSOPVSA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(O)c(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001141031183 1023296457 /nfs/dbraw/zinc/29/64/57/1023296457.db2.gz YTOZJZJGLHUWBK-DEOSSOPVSA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(O)c(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001141031183 1023296463 /nfs/dbraw/zinc/29/64/63/1023296463.db2.gz YTOZJZJGLHUWBK-DEOSSOPVSA-N 2 1 396.531 3.898 20 10 GHCDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2c(cc1O)CCCC2 ZINC000756602166 1023730813 /nfs/dbraw/zinc/73/08/13/1023730813.db2.gz CNDHRUIKORQXNM-KOSHJBKYSA-N 2 1 380.532 3.559 20 10 GHCDMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2c(cc1O)CCCC2 ZINC000756602166 1023730820 /nfs/dbraw/zinc/73/08/20/1023730820.db2.gz CNDHRUIKORQXNM-KOSHJBKYSA-N 2 1 380.532 3.559 20 10 GHCDMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2c(cc1O)CCCC2 ZINC000756602168 1023730922 /nfs/dbraw/zinc/73/09/22/1023730922.db2.gz CNDHRUIKORQXNM-MHECFPHRSA-N 2 1 380.532 3.559 20 10 GHCDMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2c(cc1O)CCCC2 ZINC000756602168 1023730924 /nfs/dbraw/zinc/73/09/24/1023730924.db2.gz CNDHRUIKORQXNM-MHECFPHRSA-N 2 1 380.532 3.559 20 10 GHCDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2c(cc1O)CCCC2 ZINC000756602164 1023731246 /nfs/dbraw/zinc/73/12/46/1023731246.db2.gz CNDHRUIKORQXNM-HOYKHHGWSA-N 2 1 380.532 3.559 20 10 GHCDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2c(cc1O)CCCC2 ZINC000756602164 1023731252 /nfs/dbraw/zinc/73/12/52/1023731252.db2.gz CNDHRUIKORQXNM-HOYKHHGWSA-N 2 1 380.532 3.559 20 10 GHCDMP C[NH+]1CCN(c2ccc(CNc3[nH+]cnc4c3ccn4C3CCCC3)cc2)CC1 ZINC001156657212 1033160716 /nfs/dbraw/zinc/16/07/16/1033160716.db2.gz HSBKXFJDGSBDSH-UHFFFAOYSA-N 2 1 390.535 3.910 20 10 GHCDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c3ccccc3n(C)c1C)C2 ZINC001138253680 1024474255 /nfs/dbraw/zinc/47/42/55/1024474255.db2.gz BXOSPJRKBZWTBG-RDPSFJRHSA-N 2 1 381.564 3.667 20 10 GHCDMP COc1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4C)cc3)CC2)c(C)c1 ZINC001138550555 1024999437 /nfs/dbraw/zinc/99/94/37/1024999437.db2.gz WZVVEHGQGHYCMS-UHFFFAOYSA-N 2 1 376.504 3.820 20 10 GHCDMP COc1cc(C[N@H+]2CCC[C@H](OCc3ccccc3)C2)cc(C[NH+](C)C)c1O ZINC001139257753 1026107840 /nfs/dbraw/zinc/10/78/40/1026107840.db2.gz GHNFQLWZLPHBGS-NRFANRHFSA-N 2 1 384.520 3.644 20 10 GHCDMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2Cc2cc(C[NH+](C)C)c(O)c(OC)c2)c1 ZINC001139261185 1026112162 /nfs/dbraw/zinc/11/21/62/1026112162.db2.gz WKIHXOBINJWDKW-FQEVSTJZSA-N 2 1 398.503 3.586 20 10 GHCDMP COc1ccc(C2=CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC2)cc1 ZINC001139410850 1026281310 /nfs/dbraw/zinc/28/13/10/1026281310.db2.gz IMPVLHJUKSTMHJ-UHFFFAOYSA-N 2 1 377.532 3.736 20 10 GHCDMP C[NH+]1CCN(c2ccc(CNCc3coc(-c4ccccc4)n3)cc2F)CC1 ZINC001461214934 1069445987 /nfs/dbraw/zinc/44/59/87/1069445987.db2.gz MOZBPMDOIYTFLF-UHFFFAOYSA-N 2 1 380.467 3.522 20 10 GHCDMP CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001203610162 1027475277 /nfs/dbraw/zinc/47/52/77/1027475277.db2.gz XLNZUBJZYITTGV-NYVOZVTQSA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001203610162 1027475288 /nfs/dbraw/zinc/47/52/88/1027475288.db2.gz XLNZUBJZYITTGV-NYVOZVTQSA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001203610162 1027475293 /nfs/dbraw/zinc/47/52/93/1027475293.db2.gz XLNZUBJZYITTGV-NYVOZVTQSA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001203610162 1027475295 /nfs/dbraw/zinc/47/52/95/1027475295.db2.gz XLNZUBJZYITTGV-NYVOZVTQSA-N 2 1 395.547 3.918 20 10 GHCDMP c1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)CC23CC3)cc1 ZINC000842668822 1029473299 /nfs/dbraw/zinc/47/32/99/1029473299.db2.gz JXJFLETXJADPJD-QHCPKHFHSA-N 2 1 391.559 3.810 20 10 GHCDMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc(N4CCOCC4)cc3)CC23CC3)cc1 ZINC000842668822 1029473301 /nfs/dbraw/zinc/47/33/01/1029473301.db2.gz JXJFLETXJADPJD-QHCPKHFHSA-N 2 1 391.559 3.810 20 10 GHCDMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000843050865 1029786366 /nfs/dbraw/zinc/78/63/66/1029786366.db2.gz AKNIXZSGGLVOGQ-DOTOQJQBSA-N 2 1 380.374 3.999 20 10 GHCDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000843050865 1029786375 /nfs/dbraw/zinc/78/63/75/1029786375.db2.gz AKNIXZSGGLVOGQ-DOTOQJQBSA-N 2 1 380.374 3.999 20 10 GHCDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cccc(C(C)(C)C)c3O)C2)C1 ZINC001143105523 1029843163 /nfs/dbraw/zinc/84/31/63/1029843163.db2.gz ZGCMNEPNZDMLPJ-HYBUGGRVSA-N 2 1 386.580 3.870 20 10 GHCDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cccc(C(C)(C)C)c3O)C2)C1 ZINC001143105523 1029843170 /nfs/dbraw/zinc/84/31/70/1029843170.db2.gz ZGCMNEPNZDMLPJ-HYBUGGRVSA-N 2 1 386.580 3.870 20 10 GHCDMP C[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)C[C@H](C)[NH2+]1 ZINC001246998165 1037819740 /nfs/dbraw/zinc/81/97/40/1037819740.db2.gz AYGJZQOCQAOJQC-JHDGKUDLSA-N 2 1 379.548 3.917 20 10 GHCDMP c1ccc2oc(-c3ccc(N4CC[NH+]([C@H]5CCC[NH2+]CC5)CC4)cc3)nc2c1 ZINC001247000140 1037824625 /nfs/dbraw/zinc/82/46/25/1037824625.db2.gz HAQUCNTXHBRXAR-IBGZPJMESA-N 2 1 376.504 3.759 20 10 GHCDMP c1ccc(COc2ccc(N3CC[NH+]([C@@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)CC3)cc2)cc1 ZINC001247007848 1037832791 /nfs/dbraw/zinc/83/27/91/1037832791.db2.gz WXHBYHUEEMVBEC-IUTQVRIDSA-N 2 1 377.532 3.671 20 10 GHCDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001232838501 1038589660 /nfs/dbraw/zinc/58/96/60/1038589660.db2.gz GSHUZNSECWKTOJ-OFAXGOBFSA-N 2 1 394.563 3.586 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001232838501 1038589668 /nfs/dbraw/zinc/58/96/68/1038589668.db2.gz GSHUZNSECWKTOJ-OFAXGOBFSA-N 2 1 394.563 3.586 20 10 GHCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001232838501 1038589684 /nfs/dbraw/zinc/58/96/84/1038589684.db2.gz GSHUZNSECWKTOJ-OFAXGOBFSA-N 2 1 394.563 3.586 20 10 GHCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001232838501 1038589703 /nfs/dbraw/zinc/58/97/03/1038589703.db2.gz GSHUZNSECWKTOJ-OFAXGOBFSA-N 2 1 394.563 3.586 20 10 GHCDMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC001233111761 1038903081 /nfs/dbraw/zinc/90/30/81/1038903081.db2.gz WRIDSMDMHKIFIX-MRXNPFEDSA-N 2 1 377.282 3.820 20 10 GHCDMP CN1CCC[C@H]2C[N@@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@H]21 ZINC001233195703 1038961662 /nfs/dbraw/zinc/96/16/62/1038961662.db2.gz ONHPKYQGPKSDJU-KBXCAEBGSA-N 2 1 375.310 3.834 20 10 GHCDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(O)ccc4cc(Br)ccc43)C[C@@H]2C1 ZINC001233199162 1038964983 /nfs/dbraw/zinc/96/49/83/1038964983.db2.gz VJRKLBFICFVACK-GASCZTMLSA-N 2 1 375.310 3.691 20 10 GHCDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233284672 1039059633 /nfs/dbraw/zinc/05/96/33/1039059633.db2.gz DCISAJWHGCRGSW-QPPBQGQZSA-N 2 1 386.580 3.870 20 10 GHCDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252950410 1039293235 /nfs/dbraw/zinc/29/32/35/1039293235.db2.gz BDBHJHVCMHRGHM-NOZRDPDXSA-N 2 1 394.559 3.859 20 10 GHCDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252950410 1039293246 /nfs/dbraw/zinc/29/32/46/1039293246.db2.gz BDBHJHVCMHRGHM-NOZRDPDXSA-N 2 1 394.559 3.859 20 10 GHCDMP COc1ccc2ccc(O)c(C[N@H+]3CCC[C@]4(C3)COCCN(C(C)C)C4)c2c1 ZINC001234535916 1040108015 /nfs/dbraw/zinc/10/80/15/1040108015.db2.gz IELDYRICYOEQIB-XMMPIXPASA-N 2 1 398.547 3.877 20 10 GHCDMP COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@]4(C3)COCC[NH+](C(C)C)C4)c2c1 ZINC001234535916 1040108026 /nfs/dbraw/zinc/10/80/26/1040108026.db2.gz IELDYRICYOEQIB-XMMPIXPASA-N 2 1 398.547 3.877 20 10 GHCDMP COc1ccc2ccc(O)c(C[N@H+]3CCC[C@]4(C3)COCC[NH+](C(C)C)C4)c2c1 ZINC001234535916 1040108036 /nfs/dbraw/zinc/10/80/36/1040108036.db2.gz IELDYRICYOEQIB-XMMPIXPASA-N 2 1 398.547 3.877 20 10 GHCDMP COc1ccc2ccc(O)c(C[NH+]3CCC[C@]4(C3)COCC[N@@H+](C(C)C)C4)c2c1 ZINC001234535916 1040108040 /nfs/dbraw/zinc/10/80/40/1040108040.db2.gz IELDYRICYOEQIB-XMMPIXPASA-N 2 1 398.547 3.877 20 10 GHCDMP c1ccc([C@H]2C[NH2+]C[C@]23CC[N@H+](Cc2cc4c5c(c2)CCCN5CCC4)C3)cc1 ZINC001235377540 1040892786 /nfs/dbraw/zinc/89/27/86/1040892786.db2.gz UXZSNJNMJUKVPJ-RSXGOPAZSA-N 2 1 387.571 3.965 20 10 GHCDMP CC(C)(C)c1cc(O)c(C[NH+]2CCN(C3(C)CC[NH2+]CC3)CC2)cc1Cl ZINC001235820363 1041335448 /nfs/dbraw/zinc/33/54/48/1041335448.db2.gz NAFCXAZKJOGERQ-UHFFFAOYSA-N 2 1 379.976 3.603 20 10 GHCDMP CCC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H](C)C(=O)Nc1ccccc1C ZINC001236089920 1041526993 /nfs/dbraw/zinc/52/69/93/1041526993.db2.gz ZHSWGXNVLANOTE-FQEVSTJZSA-N 2 1 394.563 3.644 20 10 GHCDMP CN1CCOc2cc(C[N@@H+](Cc3ccccc3F)[C@H]3CC[C@H]([NH3+])CC3)ccc21 ZINC001236536852 1041755715 /nfs/dbraw/zinc/75/57/15/1041755715.db2.gz KGWRRANCWVUHAF-MXVIHJGJSA-N 2 1 383.511 3.926 20 10 GHCDMP COc1ccccc1C[N@H+](Cc1c(O)ccc(F)c1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236710862 1041846895 /nfs/dbraw/zinc/84/68/95/1041846895.db2.gz HVWPGDMIUFTNES-WKILWMFISA-N 2 1 376.447 3.951 20 10 GHCDMP COc1ccccc1C[N@@H+](Cc1c(O)ccc(F)c1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236710862 1041846899 /nfs/dbraw/zinc/84/68/99/1041846899.db2.gz HVWPGDMIUFTNES-WKILWMFISA-N 2 1 376.447 3.951 20 10 GHCDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001236926720 1041961547 /nfs/dbraw/zinc/96/15/47/1041961547.db2.gz JQWPZVYKTZHHOF-UHFFFAOYSA-N 2 1 379.976 3.729 20 10 GHCDMP Cc1cccc(O)c1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001237485654 1042228598 /nfs/dbraw/zinc/22/85/98/1042228598.db2.gz JIDLPEHUIIMHPO-URXFXBBRSA-N 2 1 384.564 3.661 20 10 GHCDMP Cc1cccc(O)c1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001237485654 1042228602 /nfs/dbraw/zinc/22/86/02/1042228602.db2.gz JIDLPEHUIIMHPO-URXFXBBRSA-N 2 1 384.564 3.661 20 10 GHCDMP Cc1cccc(O)c1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001237485654 1042228608 /nfs/dbraw/zinc/22/86/08/1042228608.db2.gz JIDLPEHUIIMHPO-URXFXBBRSA-N 2 1 384.564 3.661 20 10 GHCDMP Cc1cccc(O)c1C[N@H+]1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001237488768 1042231265 /nfs/dbraw/zinc/23/12/65/1042231265.db2.gz PEAXDAFUJLUJJS-OAQYLSRUSA-N 2 1 387.474 3.829 20 10 GHCDMP COc1cc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c(O)c(OC)c1 ZINC001237682315 1042322842 /nfs/dbraw/zinc/32/28/42/1042322842.db2.gz XZNVPZVGYALUKU-BJJLKGPWSA-N 2 1 398.547 3.804 20 10 GHCDMP Oc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](CF)C3)c2c1C[NH+]1CC[C@H](CF)C1 ZINC001262053109 1046170057 /nfs/dbraw/zinc/17/00/57/1046170057.db2.gz PUROEUQPDZBGNZ-IYBDPMFKSA-N 2 1 390.474 3.834 20 10 GHCDMP Oc1ccc2ccc(O)c(C[N@@H+]3CC[C@H](CF)C3)c2c1C[NH+]1CC[C@@H](CF)C1 ZINC001262053109 1046170066 /nfs/dbraw/zinc/17/00/66/1046170066.db2.gz PUROEUQPDZBGNZ-IYBDPMFKSA-N 2 1 390.474 3.834 20 10 GHCDMP Oc1ccc2ccc(O)c(C[N@H+]3CC[C@H](CF)C3)c2c1C[NH+]1CC[C@@H](CF)C1 ZINC001262053109 1046170071 /nfs/dbraw/zinc/17/00/71/1046170071.db2.gz PUROEUQPDZBGNZ-IYBDPMFKSA-N 2 1 390.474 3.834 20 10 GHCDMP C[NH+]1CCC(CCO)([NH2+]Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)CC1 ZINC001308446994 1049978309 /nfs/dbraw/zinc/97/83/09/1049978309.db2.gz HDHTUGDHNNXCGF-UHFFFAOYSA-N 2 1 376.585 3.924 20 10 GHCDMP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001200244816 1065724383 /nfs/dbraw/zinc/72/43/83/1065724383.db2.gz YMSWVDHQQDUXKH-UGKGYDQZSA-N 2 1 396.554 3.503 20 10 GHCDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1cccs1 ZINC001474019030 1074237267 /nfs/dbraw/zinc/23/72/67/1074237267.db2.gz LDGAMEXPABYPHN-DENIHFKCSA-N 2 1 385.577 3.757 20 10 GHCDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]1c1cccs1 ZINC001474019030 1074237273 /nfs/dbraw/zinc/23/72/73/1074237273.db2.gz LDGAMEXPABYPHN-DENIHFKCSA-N 2 1 385.577 3.757 20 10 GHCDMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(N(C)C)cc1 ZINC000766120863 857241895 /nfs/dbraw/zinc/24/18/95/857241895.db2.gz CLZHDKPWEILRLJ-XWGVYQGASA-N 2 1 381.564 3.676 20 10 GHCDMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(N(C)C)cc1 ZINC000766120863 857241904 /nfs/dbraw/zinc/24/19/04/857241904.db2.gz CLZHDKPWEILRLJ-XWGVYQGASA-N 2 1 381.564 3.676 20 10 GHCDMP COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000738273196 865512539 /nfs/dbraw/zinc/51/25/39/865512539.db2.gz XUMXYRJARAVBIT-GOSISDBHSA-N 2 1 382.504 3.782 20 10 GHCDMP COc1ccc(N2CCC([NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000793206238 882031941 /nfs/dbraw/zinc/03/19/41/882031941.db2.gz DDOUKMNRJZUQPM-OAQYLSRUSA-N 2 1 379.548 3.776 20 10 GHCDMP Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775657687 872425161 /nfs/dbraw/zinc/42/51/61/872425161.db2.gz GOMNJDREHNIGPT-QHCPKHFHSA-N 2 1 389.547 3.662 20 10 GHCDMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769517138 874123706 /nfs/dbraw/zinc/12/37/06/874123706.db2.gz ZGOHQAKRIVZIFL-FQEVSTJZSA-N 2 1 386.540 3.749 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC000850346088 876837257 /nfs/dbraw/zinc/83/72/57/876837257.db2.gz BYVIMBGIYKYUJY-QFIPXVFZSA-N 2 1 379.548 3.571 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(C(F)(F)F)c1O ZINC000788685370 878242948 /nfs/dbraw/zinc/24/29/48/878242948.db2.gz HMUYIACANAATAM-CYBMUJFWSA-N 2 1 383.414 3.597 20 10 GHCDMP COc1cc(Br)cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1O ZINC000809738670 887772043 /nfs/dbraw/zinc/77/20/43/887772043.db2.gz DNKXZPWZBJLCJX-UHFFFAOYSA-N 2 1 393.325 3.857 20 10 GHCDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876981416 893419799 /nfs/dbraw/zinc/41/97/99/893419799.db2.gz PKSFVQAKMOQEDN-UHFFFAOYSA-N 2 1 381.564 3.778 20 10 GHCDMP CN(C)c1ccc([C@@H](N)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000817941764 895970526 /nfs/dbraw/zinc/97/05/26/895970526.db2.gz KTPOFCXWNQFKEN-HQNXYIODSA-N 2 1 380.580 3.785 20 10 GHCDMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1O ZINC000186127574 907882255 /nfs/dbraw/zinc/88/22/55/907882255.db2.gz HUEMPHHAWNGZQF-KKXDTOCCSA-N 2 1 397.357 3.573 20 10 GHCDMP Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(O)c1 ZINC000293679620 916325454 /nfs/dbraw/zinc/32/54/54/916325454.db2.gz KHQKBLGRDMWQLF-RXVVDRJESA-N 2 1 395.547 3.557 20 10 GHCDMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)c1 ZINC001116565087 933637204 /nfs/dbraw/zinc/63/72/04/933637204.db2.gz HKBPXRHNTWSSLY-RXVVDRJESA-N 2 1 398.547 3.996 20 10 GHCDMP CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c2ccccc21 ZINC001204238365 1032682924 /nfs/dbraw/zinc/68/29/24/1032682924.db2.gz PTNWMSHWQZWVSA-OYRHEFFESA-N 2 1 386.543 3.865 20 10 GHCDMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]Cc2ccc(N4CCOCC4)cc2)C3)cc1 ZINC000779438035 1020788376 /nfs/dbraw/zinc/78/83/76/1020788376.db2.gz CHZUCCBWYLIBJJ-RHHYMUMYSA-N 2 1 391.559 3.808 20 10 GHCDMP CCN(CC)c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001140854884 1022709030 /nfs/dbraw/zinc/70/90/30/1022709030.db2.gz GCIPVHSAAZBKAY-SZPZYZBQSA-N 2 1 379.548 3.802 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC001141032997 1023301359 /nfs/dbraw/zinc/30/13/59/1023301359.db2.gz WKYYOIXPWQUEIT-WOJBJXKFSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC001141032997 1023301363 /nfs/dbraw/zinc/30/13/63/1023301363.db2.gz WKYYOIXPWQUEIT-WOJBJXKFSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(OC)c1 ZINC001141032997 1023301371 /nfs/dbraw/zinc/30/13/71/1023301371.db2.gz WKYYOIXPWQUEIT-WOJBJXKFSA-N 2 1 396.531 3.753 20 10 GHCDMP Cc1cc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)ccc1N(C)C ZINC001139671160 1026526360 /nfs/dbraw/zinc/52/63/60/1026526360.db2.gz SWQDRHWRRSZYRM-NRFANRHFSA-N 2 1 397.563 3.910 20 10 GHCDMP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1cc(F)ccc1OC ZINC001203739726 1027563866 /nfs/dbraw/zinc/56/38/66/1027563866.db2.gz ISRFVCSBPZUZFP-HXUWFJFHSA-N 2 1 389.490 3.966 20 10 GHCDMP CC(C)(C)c1cc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(O)c(C(C)(C)C)c1 ZINC000841099679 1028134415 /nfs/dbraw/zinc/13/44/15/1028134415.db2.gz NJWBJMGUTUKCGP-LJQANCHMSA-N 2 1 399.583 3.875 20 10 GHCDMP Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001461382253 1069526405 /nfs/dbraw/zinc/52/64/05/1069526405.db2.gz SPBHBYKKNRHRJA-NRFANRHFSA-N 2 1 377.532 3.733 20 10 GHCDMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001206369742 1033817493 /nfs/dbraw/zinc/81/74/93/1033817493.db2.gz HPTKUWWWBOQOKA-SFHVURJKSA-N 2 1 381.289 3.961 20 10 GHCDMP CCOc1ccc(N2CC[NH+]([C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)CC2)cc1 ZINC001246945263 1037750993 /nfs/dbraw/zinc/75/09/93/1037750993.db2.gz FVRVHHGXDQVVQK-GGAORHGYSA-N 2 1 379.548 3.571 20 10 GHCDMP Oc1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235405645 1040917763 /nfs/dbraw/zinc/91/77/63/1040917763.db2.gz OKISUEHXBOFIPC-RBUKOAKNSA-N 2 1 393.300 3.831 20 10 GHCDMP c1ccc([C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccc(N4CC[NH2+]CC4)cc2)C3)cc1 ZINC001235532818 1040978134 /nfs/dbraw/zinc/97/81/34/1040978134.db2.gz OVTQSQGWWKIURR-NOZRDPDXSA-N 2 1 391.559 3.635 20 10 GHCDMP COc1ccc(C[C@@H]2CCC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001236093686 1041530586 /nfs/dbraw/zinc/53/05/86/1041530586.db2.gz XAWJMPWVAWOKBD-QFIPXVFZSA-N 2 1 379.548 3.560 20 10 GHCDMP COC(=O)c1c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c2ccccc2n1C ZINC001236374201 1041686104 /nfs/dbraw/zinc/68/61/04/1041686104.db2.gz CDDFSLBEMJSESV-KRWDZBQOSA-N 2 1 383.536 3.709 20 10 GHCDMP COc1cc(O)c(C[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)c1 ZINC001236576598 1041767393 /nfs/dbraw/zinc/76/73/93/1041767393.db2.gz OLRLTWRUTWSXHQ-MQMHXKEQSA-N 2 1 383.330 3.788 20 10 GHCDMP COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236939518 1041965563 /nfs/dbraw/zinc/96/55/63/1041965563.db2.gz RUPAGUZNQFOEOH-QFIPXVFZSA-N 2 1 383.511 3.923 20 10 GHCDMP COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2F)c1 ZINC001236943073 1041966238 /nfs/dbraw/zinc/96/62/38/1041966238.db2.gz PQHATDVPYUUOTP-HSZRJFAPSA-N 2 1 383.511 3.923 20 10 GHCDMP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001237041490 1042001357 /nfs/dbraw/zinc/00/13/57/1042001357.db2.gz MFTHQAQRVFKWHZ-CDNPAEQRSA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001237041490 1042001365 /nfs/dbraw/zinc/00/13/65/1042001365.db2.gz MFTHQAQRVFKWHZ-CDNPAEQRSA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001237041490 1042001373 /nfs/dbraw/zinc/00/13/73/1042001373.db2.gz MFTHQAQRVFKWHZ-CDNPAEQRSA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001237041490 1042001381 /nfs/dbraw/zinc/00/13/81/1042001381.db2.gz MFTHQAQRVFKWHZ-CDNPAEQRSA-N 2 1 395.547 3.918 20 10 GHCDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001279940628 1047994629 /nfs/dbraw/zinc/99/46/29/1047994629.db2.gz KDJAMZSIZLWHKH-CALCHBBNSA-N 2 1 379.976 3.553 20 10 GHCDMP CCC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H](O)c1ccccc1 ZINC001344379819 1054404149 /nfs/dbraw/zinc/40/41/49/1054404149.db2.gz DHJPGCREWITSNG-FYYLOGMGSA-N 2 1 385.527 3.569 20 10 GHCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001337785721 1058262990 /nfs/dbraw/zinc/26/29/90/1058262990.db2.gz QSLSVQAJFKVORK-NQIIRXRSSA-N 2 1 379.548 3.786 20 10 GHCDMP COc1cccc2cc(C[NH2+]Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)oc21 ZINC001473975581 1074223268 /nfs/dbraw/zinc/22/32/68/1074223268.db2.gz DRTSBHPSQIZPGH-UHFFFAOYSA-N 2 1 383.467 3.622 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3CCc4ccccc4CC3)cc2F)CC1 ZINC001474220620 1074297850 /nfs/dbraw/zinc/29/78/50/1074297850.db2.gz LWJQDANIJOIWEW-UHFFFAOYSA-N 2 1 381.539 3.862 20 10 GHCDMP C[NH+]1CCN(c2ccc(CNc3ccc([C@H]4CCCC[N@H+]4C)cn3)cc2)CC1 ZINC001167431307 840048334 /nfs/dbraw/zinc/04/83/34/840048334.db2.gz RRDVLXGPTWMLQL-JOCHJYFZSA-N 2 1 379.552 3.602 20 10 GHCDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765757732 856450674 /nfs/dbraw/zinc/45/06/74/856450674.db2.gz FRYZOIMAMXWZPG-HOTGVXAUSA-N 2 1 376.932 3.668 20 10 GHCDMP CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000764463067 859457803 /nfs/dbraw/zinc/45/78/03/859457803.db2.gz IOJFMODZCSRXDT-SFTDATJTSA-N 2 1 386.609 3.844 20 10 GHCDMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(O)cccc3Cl)C2)ccn1 ZINC000856560902 881458298 /nfs/dbraw/zinc/45/82/98/881458298.db2.gz PXRNFGNFZHLOAZ-GOSISDBHSA-N 2 1 389.927 3.934 20 10 GHCDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)ccn1 ZINC000856560902 881458581 /nfs/dbraw/zinc/45/85/81/881458581.db2.gz PXRNFGNFZHLOAZ-GOSISDBHSA-N 2 1 389.927 3.934 20 10 GHCDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C2)ccn1 ZINC000856560902 881458596 /nfs/dbraw/zinc/45/85/96/881458596.db2.gz PXRNFGNFZHLOAZ-GOSISDBHSA-N 2 1 389.927 3.934 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc2c(cc1O)CCCC2 ZINC000184894351 865021113 /nfs/dbraw/zinc/02/11/13/865021113.db2.gz PNBQGPKUZIMPLF-GOSISDBHSA-N 2 1 380.532 3.954 20 10 GHCDMP COC(=O)c1cc2ccccc2c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1O ZINC000738089127 865483942 /nfs/dbraw/zinc/48/39/42/865483942.db2.gz JYHSYICQUAVPKL-UHFFFAOYSA-N 2 1 384.520 3.884 20 10 GHCDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664744 872488633 /nfs/dbraw/zinc/48/86/33/872488633.db2.gz PJYULYDVNFDGDI-GGAORHGYSA-N 2 1 384.612 3.525 20 10 GHCDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664744 872488643 /nfs/dbraw/zinc/48/86/43/872488643.db2.gz PJYULYDVNFDGDI-GGAORHGYSA-N 3 1 384.612 3.525 20 10 GHCDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664744 872488650 /nfs/dbraw/zinc/48/86/50/872488650.db2.gz PJYULYDVNFDGDI-GGAORHGYSA-N 3 1 384.612 3.525 20 10 GHCDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664744 872488661 /nfs/dbraw/zinc/48/86/61/872488661.db2.gz PJYULYDVNFDGDI-GGAORHGYSA-N 3 1 384.612 3.525 20 10 GHCDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664744 872488669 /nfs/dbraw/zinc/48/86/69/872488669.db2.gz PJYULYDVNFDGDI-GGAORHGYSA-N 3 1 384.612 3.525 20 10 GHCDMP CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(N3CC[NH+](C)CC3)cc1)CCC2 ZINC000775725703 873188687 /nfs/dbraw/zinc/18/86/87/873188687.db2.gz LXQFQTUKEYTSCY-HXUWFJFHSA-N 2 1 384.593 3.967 20 10 GHCDMP COc1cc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(O)c(C(C)(C)C)c1 ZINC000850175640 876712205 /nfs/dbraw/zinc/71/22/05/876712205.db2.gz HSKWEWWNNFNGBW-UHFFFAOYSA-N 2 1 398.551 3.864 20 10 GHCDMP CCN(CC)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1F ZINC000850357249 876846972 /nfs/dbraw/zinc/84/69/72/876846972.db2.gz CKGABAFLBGXACP-NRFANRHFSA-N 2 1 385.527 3.528 20 10 GHCDMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(N4CCCCC4)cc3)cc2)C1 ZINC000850357333 876848179 /nfs/dbraw/zinc/84/81/79/876848179.db2.gz GAMFHWIOTCIYJY-DEOSSOPVSA-N 2 1 379.548 3.533 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CO)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000850401913 876882675 /nfs/dbraw/zinc/88/26/75/876882675.db2.gz BRYLRMVZOVHHBM-LJQANCHMSA-N 2 1 394.346 3.568 20 10 GHCDMP CCc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000763338022 888523240 /nfs/dbraw/zinc/52/32/40/888523240.db2.gz OLLGHNSOMRGCQY-GCJKJVERSA-N 2 1 387.612 3.710 20 10 GHCDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000124005496 891220398 /nfs/dbraw/zinc/22/03/98/891220398.db2.gz XGNLJXHMGWYSKT-GOSISDBHSA-N 2 1 385.527 3.965 20 10 GHCDMP Cc1cccc(O)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000877552073 893683365 /nfs/dbraw/zinc/68/33/65/893683365.db2.gz PRRHHXAHMRYWCM-OAQYLSRUSA-N 2 1 380.532 3.719 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778643623 897841814 /nfs/dbraw/zinc/84/18/14/897841814.db2.gz UUFBAFTWMAFLOK-NZQKXSOJSA-N 2 1 379.548 3.523 20 10 GHCDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000844912065 901520901 /nfs/dbraw/zinc/52/09/01/901520901.db2.gz REVSVIUDZRAGFQ-SFLYRZDNSA-N 2 1 396.531 3.832 20 10 GHCDMP CC(C)c1ccc(O)c(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC001181689187 910897407 /nfs/dbraw/zinc/89/74/07/910897407.db2.gz WFCSNCUPYWKWBV-XMMPIXPASA-N 2 1 393.575 3.908 20 10 GHCDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093006800 912004606 /nfs/dbraw/zinc/00/46/06/912004606.db2.gz XHPNFHJHQKMGBP-UHFFFAOYSA-N 2 1 393.575 3.867 20 10 GHCDMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1cc2c(cc1O)CCCC2 ZINC001116584687 933648051 /nfs/dbraw/zinc/64/80/51/933648051.db2.gz JMCUECMVFTVKMY-LJQANCHMSA-N 2 1 393.575 3.869 20 10 GHCDMP Oc1cccc2c1[C@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CC13CCOCC3)CC2 ZINC000834811023 1021506842 /nfs/dbraw/zinc/50/68/42/1021506842.db2.gz LWBVGBDHFHOJIN-FCHUYYIVSA-N 2 1 392.543 3.898 20 10 GHCDMP CN(C)c1ccc(/C=C/C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000835047810 1021810595 /nfs/dbraw/zinc/81/05/95/1021810595.db2.gz KQEMFSJKODWMNI-COIATFDQSA-N 2 1 379.548 3.512 20 10 GHCDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000756435181 1023646697 /nfs/dbraw/zinc/64/66/97/1023646697.db2.gz XPLAQHYCBZDHSG-HXUWFJFHSA-N 2 1 381.564 3.997 20 10 GHCDMP CN1CCOc2cc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)ccc21 ZINC001141146276 1023966831 /nfs/dbraw/zinc/96/68/31/1023966831.db2.gz QLLLWFMCLQKDGS-PKTZIBPZSA-N 2 1 391.559 3.859 20 10 GHCDMP CN1CCOc2cc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)CC[C@H]4C3)ccc21 ZINC001141146276 1023966835 /nfs/dbraw/zinc/96/68/35/1023966835.db2.gz QLLLWFMCLQKDGS-PKTZIBPZSA-N 2 1 391.559 3.859 20 10 GHCDMP CN1CCOc2cc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)ccc21 ZINC001141146276 1023966843 /nfs/dbraw/zinc/96/68/43/1023966843.db2.gz QLLLWFMCLQKDGS-PKTZIBPZSA-N 2 1 391.559 3.859 20 10 GHCDMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138342940 1024703574 /nfs/dbraw/zinc/70/35/74/1024703574.db2.gz VSRLSPXMEWNJGF-UHFFFAOYSA-N 2 1 388.515 3.909 20 10 GHCDMP C[C@H](OCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccccc1 ZINC001461017172 1069338278 /nfs/dbraw/zinc/33/82/78/1069338278.db2.gz OYZHAZYIEOQJOP-IBGZPJMESA-N 2 1 385.527 3.835 20 10 GHCDMP COc1cc(C[N@@H+](Cc2ccccc2)C2CCOCC2)cc(C[NH+](C)C)c1O ZINC001139257363 1026107866 /nfs/dbraw/zinc/10/78/66/1026107866.db2.gz AMOXFKSAMOTRFQ-UHFFFAOYSA-N 2 1 384.520 3.644 20 10 GHCDMP C[N@@H+](Cc1ccccc1)C1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139409787 1026282390 /nfs/dbraw/zinc/28/23/90/1026282390.db2.gz SIXOSXRYEXDLAP-UHFFFAOYSA-N 2 1 392.591 3.535 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@](C)(c4ccc(Cl)cc4)C3)cc2)CC1 ZINC001139412106 1026283795 /nfs/dbraw/zinc/28/37/95/1026283795.db2.gz FCRPWSJUQJBHTJ-QHCPKHFHSA-N 2 1 399.966 3.839 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cc1OC ZINC000843106536 1029811743 /nfs/dbraw/zinc/81/17/43/1029811743.db2.gz BIVWJRAGEGSGLD-ICSRJNTNSA-N 2 1 384.520 3.582 20 10 GHCDMP CC1(C)C=Cc2c(O)c(C[N@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)ccc2O1 ZINC001222614159 1030238015 /nfs/dbraw/zinc/23/80/15/1030238015.db2.gz AWTPXWQWHHQCET-FQEVSTJZSA-N 2 1 376.500 3.765 20 10 GHCDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC001231586549 1034737641 /nfs/dbraw/zinc/73/76/41/1034737641.db2.gz CMWGPGHFNYLZOG-HYBUGGRVSA-N 2 1 380.532 3.726 20 10 GHCDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC001231586549 1034737655 /nfs/dbraw/zinc/73/76/55/1034737655.db2.gz CMWGPGHFNYLZOG-HYBUGGRVSA-N 2 1 380.532 3.726 20 10 GHCDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)C1 ZINC001231586549 1034737667 /nfs/dbraw/zinc/73/76/67/1034737667.db2.gz CMWGPGHFNYLZOG-HYBUGGRVSA-N 2 1 380.532 3.726 20 10 GHCDMP FC(F)(F)Oc1ccc(N2CC[NH+](Cc3cc4c[nH+]ccc4[nH]3)CC2)cc1 ZINC001232018395 1035046839 /nfs/dbraw/zinc/04/68/39/1035046839.db2.gz KOUCZYLDWDZPHG-UHFFFAOYSA-N 2 1 376.382 3.784 20 10 GHCDMP C[C@@H]1CC([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H](C)N1Cc1ccccc1 ZINC001246171857 1037222478 /nfs/dbraw/zinc/22/24/78/1037222478.db2.gz FQRCODYVDYLVGZ-NHCUHLMSSA-N 2 1 392.591 3.627 20 10 GHCDMP C[C@@H]1CC(NCc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001246171857 1037222489 /nfs/dbraw/zinc/22/24/89/1037222489.db2.gz FQRCODYVDYLVGZ-NHCUHLMSSA-N 2 1 392.591 3.627 20 10 GHCDMP COC(=O)c1c(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c2ccccc2n1C ZINC001232403757 1038187442 /nfs/dbraw/zinc/18/74/42/1038187442.db2.gz CHAWVDNSLJXIIQ-SFHVURJKSA-N 2 1 383.536 3.805 20 10 GHCDMP COC(=O)c1c(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c2ccccc2n1C ZINC001232403757 1038187449 /nfs/dbraw/zinc/18/74/49/1038187449.db2.gz CHAWVDNSLJXIIQ-SFHVURJKSA-N 2 1 383.536 3.805 20 10 GHCDMP COC(=O)c1c(C[N@@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c2ccccc2n1C ZINC001232405682 1038189700 /nfs/dbraw/zinc/18/97/00/1038189700.db2.gz OJZJOXDZOXOEBJ-ZWKOTPCHSA-N 2 1 383.536 3.804 20 10 GHCDMP COC(=O)c1c(C[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c2ccccc2n1C ZINC001232405682 1038189708 /nfs/dbraw/zinc/18/97/08/1038189708.db2.gz OJZJOXDZOXOEBJ-ZWKOTPCHSA-N 2 1 383.536 3.804 20 10 GHCDMP COC(=O)c1c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c2ccccc2n1C ZINC001232405682 1038189712 /nfs/dbraw/zinc/18/97/12/1038189712.db2.gz OJZJOXDZOXOEBJ-ZWKOTPCHSA-N 2 1 383.536 3.804 20 10 GHCDMP COC(=O)c1c(C[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c2ccccc2n1C ZINC001232405682 1038189717 /nfs/dbraw/zinc/18/97/17/1038189717.db2.gz OJZJOXDZOXOEBJ-ZWKOTPCHSA-N 2 1 383.536 3.804 20 10 GHCDMP Cc1noc(C)c1C[N@H+]1CCCC12CC[NH+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232839648 1038590921 /nfs/dbraw/zinc/59/09/21/1038590921.db2.gz UNTGHEKJNJQOQR-UHFFFAOYSA-N 2 1 398.551 3.694 20 10 GHCDMP Cc1noc(C)c1C[N@@H+]1CCCC12CC[NH+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232839648 1038590927 /nfs/dbraw/zinc/59/09/27/1038590927.db2.gz UNTGHEKJNJQOQR-UHFFFAOYSA-N 2 1 398.551 3.694 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(O)c1 ZINC001232842277 1038591921 /nfs/dbraw/zinc/59/19/21/1038591921.db2.gz UWIXZDHNIJRGNP-RTWAWAEBSA-N 2 1 379.548 3.802 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c(O)c1 ZINC001232842277 1038591927 /nfs/dbraw/zinc/59/19/27/1038591927.db2.gz UWIXZDHNIJRGNP-RTWAWAEBSA-N 2 1 379.548 3.802 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c(O)c1 ZINC001232842277 1038591930 /nfs/dbraw/zinc/59/19/30/1038591930.db2.gz UWIXZDHNIJRGNP-RTWAWAEBSA-N 2 1 379.548 3.802 20 10 GHCDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC001233107690 1038894569 /nfs/dbraw/zinc/89/45/69/1038894569.db2.gz HJGSKQRDTZQIBZ-UHFFFAOYSA-N 2 1 390.325 3.906 20 10 GHCDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)c1O ZINC001233111768 1038902950 /nfs/dbraw/zinc/90/29/50/1038902950.db2.gz WXJWQEUWZZVIJY-QGZVFWFLSA-N 2 1 377.282 3.902 20 10 GHCDMP CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC001234553168 1040122320 /nfs/dbraw/zinc/12/23/20/1040122320.db2.gz YFTVOLAMKOFHOO-LJQANCHMSA-N 2 1 384.520 3.629 20 10 GHCDMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC001234553168 1040122327 /nfs/dbraw/zinc/12/23/27/1040122327.db2.gz YFTVOLAMKOFHOO-LJQANCHMSA-N 2 1 384.520 3.629 20 10 GHCDMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1 ZINC001234553168 1040122338 /nfs/dbraw/zinc/12/23/38/1040122338.db2.gz YFTVOLAMKOFHOO-LJQANCHMSA-N 2 1 384.520 3.629 20 10 GHCDMP CC[NH+]1CCN(c2ccc(O[C@H]3CCC[N@H+]([C@@H](C)c4ccccn4)C3)cc2)CC1 ZINC001234660048 1040195704 /nfs/dbraw/zinc/19/57/04/1040195704.db2.gz CIBPUVCEINYURN-REWPJTCUSA-N 2 1 394.563 3.828 20 10 GHCDMP CSc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236107831 1041540355 /nfs/dbraw/zinc/54/03/55/1041540355.db2.gz FFJJQICIWPUVLQ-HXUWFJFHSA-N 2 1 383.561 3.861 20 10 GHCDMP CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001236240731 1041639843 /nfs/dbraw/zinc/63/98/43/1041639843.db2.gz UCBVKVPNFQWJEV-UHFFFAOYSA-N 2 1 380.410 3.915 20 10 GHCDMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)CC2CCCCC2)CC1 ZINC001236759229 1041876978 /nfs/dbraw/zinc/87/69/78/1041876978.db2.gz QGACIAGEVURAQA-HCGLCNNCSA-N 3 1 384.612 3.748 20 10 GHCDMP COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001236814938 1041913733 /nfs/dbraw/zinc/91/37/33/1041913733.db2.gz XTGRMPZIDINFMY-CDNPAEQRSA-N 2 1 395.547 3.837 20 10 GHCDMP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001236814938 1041913737 /nfs/dbraw/zinc/91/37/37/1041913737.db2.gz XTGRMPZIDINFMY-CDNPAEQRSA-N 2 1 395.547 3.837 20 10 GHCDMP COc1cc(C)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001236814938 1041913739 /nfs/dbraw/zinc/91/37/39/1041913739.db2.gz XTGRMPZIDINFMY-CDNPAEQRSA-N 2 1 395.547 3.837 20 10 GHCDMP COc1cc(C)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001236814938 1041913742 /nfs/dbraw/zinc/91/37/42/1041913742.db2.gz XTGRMPZIDINFMY-CDNPAEQRSA-N 2 1 395.547 3.837 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCSC[C@@H]3c3ccccc3)c(F)c2)CC1 ZINC001236934061 1041964300 /nfs/dbraw/zinc/96/43/00/1041964300.db2.gz CELKYVVTAYEYQI-JOCHJYFZSA-N 2 1 385.552 3.868 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCSC[C@@H]3c3ccccc3)c(F)c2)CC1 ZINC001236934061 1041964302 /nfs/dbraw/zinc/96/43/02/1041964302.db2.gz CELKYVVTAYEYQI-JOCHJYFZSA-N 2 1 385.552 3.868 20 10 GHCDMP COc1ccc([C@H]2CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)cc1 ZINC001236944101 1041965923 /nfs/dbraw/zinc/96/59/23/1041965923.db2.gz ZUWZUQZCTBQRRH-IBGZPJMESA-N 2 1 383.511 3.576 20 10 GHCDMP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679630 1042320666 /nfs/dbraw/zinc/32/06/66/1042320666.db2.gz XCNRAOPWMHAYKD-HSZRJFAPSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679630 1042320668 /nfs/dbraw/zinc/32/06/68/1042320668.db2.gz XCNRAOPWMHAYKD-HSZRJFAPSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679630 1042320671 /nfs/dbraw/zinc/32/06/71/1042320671.db2.gz XCNRAOPWMHAYKD-HSZRJFAPSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679630 1042320673 /nfs/dbraw/zinc/32/06/73/1042320673.db2.gz XCNRAOPWMHAYKD-HSZRJFAPSA-N 2 1 382.504 3.507 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCC3CC(OC(C)(C)C)C3)cc2F)CC1 ZINC001324624486 1057182653 /nfs/dbraw/zinc/18/26/53/1057182653.db2.gz OPNFZXIFFQQZEY-UHFFFAOYSA-N 2 1 377.548 3.651 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1cccc(-n2cccn2)c1 ZINC001474025267 1074240163 /nfs/dbraw/zinc/24/01/63/1074240163.db2.gz QRCCTXPIJDSQBO-GOSISDBHSA-N 2 1 393.510 3.614 20 10 GHCDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001474184830 1074286278 /nfs/dbraw/zinc/28/62/78/1074286278.db2.gz IUBIAFBATBEFJR-WPLNEBIZSA-N 2 1 393.575 3.893 20 10 GHCDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC001474184830 1074286284 /nfs/dbraw/zinc/28/62/84/1074286284.db2.gz IUBIAFBATBEFJR-WPLNEBIZSA-N 2 1 393.575 3.893 20 10 GHCDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001474184828 1074286437 /nfs/dbraw/zinc/28/64/37/1074286437.db2.gz IUBIAFBATBEFJR-UPZGHSNSSA-N 2 1 393.575 3.893 20 10 GHCDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC001474184828 1074286438 /nfs/dbraw/zinc/28/64/38/1074286438.db2.gz IUBIAFBATBEFJR-UPZGHSNSSA-N 2 1 393.575 3.893 20 10 GHCDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001474234037 1074302805 /nfs/dbraw/zinc/30/28/05/1074302805.db2.gz IQWYMUDGSZAEHA-DENIHFKCSA-N 2 1 397.538 3.520 20 10 GHCDMP CC(C)(C)c1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)c(O)c(C(C)(C)C)c1 ZINC000236778530 843032945 /nfs/dbraw/zinc/03/29/45/843032945.db2.gz GHSJPFLUWOTJFV-UHFFFAOYSA-N 2 1 376.585 3.924 20 10 GHCDMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(O)c1C ZINC000273469160 847347419 /nfs/dbraw/zinc/34/74/19/847347419.db2.gz FHFQQTFHTFJSPX-WIYYLYMNSA-N 2 1 395.547 3.557 20 10 GHCDMP Cc1cc(O)c(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1C ZINC000174344392 865751561 /nfs/dbraw/zinc/75/15/61/865751561.db2.gz BSDKIEQWOZWBDT-UHFFFAOYSA-N 2 1 398.547 3.788 20 10 GHCDMP Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741257719 866357728 /nfs/dbraw/zinc/35/77/28/866357728.db2.gz IJGDGCJDURHXGH-VWLOTQADSA-N 2 1 388.511 3.786 20 10 GHCDMP Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000741257719 866357745 /nfs/dbraw/zinc/35/77/45/866357745.db2.gz IJGDGCJDURHXGH-VWLOTQADSA-N 2 1 388.511 3.786 20 10 GHCDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3c(O)cccc3Cl)CC2)CC1 ZINC000769526177 874132215 /nfs/dbraw/zinc/13/22/15/874132215.db2.gz JVQJLBYOYNMHPT-UHFFFAOYSA-N 2 1 379.976 3.674 20 10 GHCDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)[C@@H](C)C1 ZINC000850137629 876691544 /nfs/dbraw/zinc/69/15/44/876691544.db2.gz RASMCAJQKJKAEI-LAUBAEHRSA-N 2 1 392.584 3.925 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CO)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000850401911 876883125 /nfs/dbraw/zinc/88/31/25/876883125.db2.gz BRYLRMVZOVHHBM-IBGZPJMESA-N 2 1 394.346 3.568 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000850487508 876962046 /nfs/dbraw/zinc/96/20/46/876962046.db2.gz HLWYBWDLXZAPLQ-HJNYFJLDSA-N 2 1 379.548 3.774 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc2ccccc2c1O ZINC000850509420 876981688 /nfs/dbraw/zinc/98/16/88/876981688.db2.gz PWZVIYUCXFGEST-DYESRHJHSA-N 2 1 376.500 3.963 20 10 GHCDMP Oc1cc2c(cc1C[NH+]1CCC3(CC[N@@H+](Cc4ccccc4)C3)CC1)OCO2 ZINC000762498872 886290118 /nfs/dbraw/zinc/29/01/18/886290118.db2.gz CJXCNRZATHVCDY-UHFFFAOYSA-N 2 1 380.488 3.609 20 10 GHCDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cc1F ZINC000876971011 893415665 /nfs/dbraw/zinc/41/56/65/893415665.db2.gz JOOGFKNKESYIJY-UHFFFAOYSA-N 2 1 394.494 3.571 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774980446 914330518 /nfs/dbraw/zinc/33/05/18/914330518.db2.gz WBNKTHSMWUAEGQ-INIZCTEOSA-N 2 1 399.491 3.831 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774980446 914330522 /nfs/dbraw/zinc/33/05/22/914330522.db2.gz WBNKTHSMWUAEGQ-INIZCTEOSA-N 2 1 399.491 3.831 20 10 GHCDMP COc1ccc([C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c2ccco2)cc1 ZINC000825316397 900088147 /nfs/dbraw/zinc/08/81/47/900088147.db2.gz NFTVTSLEUYMSNK-XMMPIXPASA-N 2 1 391.515 3.919 20 10 GHCDMP Cc1cc(Br)cc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1O ZINC000779024672 903076716 /nfs/dbraw/zinc/07/67/16/903076716.db2.gz OEXVMXMSDBKVFA-PBHICJAKSA-N 2 1 397.357 3.757 20 10 GHCDMP CC[C@H](OCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccccc1 ZINC001179086322 909381290 /nfs/dbraw/zinc/38/12/90/909381290.db2.gz QHJQNDIKISYWQB-QHCPKHFHSA-N 2 1 385.527 3.835 20 10 GHCDMP CN(Cc1cccs1)c1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000827856386 926084574 /nfs/dbraw/zinc/08/45/74/926084574.db2.gz NTHVYMOFDPRGRY-OAQYLSRUSA-N 2 1 387.593 3.927 20 10 GHCDMP CN(Cc1cccs1)c1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000827856386 926084580 /nfs/dbraw/zinc/08/45/80/926084580.db2.gz NTHVYMOFDPRGRY-OAQYLSRUSA-N 2 1 387.593 3.927 20 10 GHCDMP COC(=O)c1cc2ccccc2c(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1O ZINC000749661339 927224774 /nfs/dbraw/zinc/22/47/74/927224774.db2.gz KUFWPMQAIJWWLK-UHFFFAOYSA-N 2 1 382.504 3.782 20 10 GHCDMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000753850145 929562763 /nfs/dbraw/zinc/56/27/63/929562763.db2.gz JVDFCPQXOFBMKF-QPPBQGQZSA-N 2 1 393.575 3.914 20 10 GHCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c2c1c(F)ccc2O ZINC000757640340 929755253 /nfs/dbraw/zinc/75/52/53/929755253.db2.gz RZUVCZJZOCVIEC-XFQXTVEOSA-N 2 1 384.495 3.826 20 10 GHCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC001116585394 933647634 /nfs/dbraw/zinc/64/76/34/933647634.db2.gz ZVJIACOHHOFXNL-PBASOCQRSA-N 2 1 380.532 3.722 20 10 GHCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001116585394 933647640 /nfs/dbraw/zinc/64/76/40/933647640.db2.gz ZVJIACOHHOFXNL-PBASOCQRSA-N 2 1 380.532 3.722 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](Oc4ccccc4C)C3)cc2)CC1 ZINC001140304521 1021354243 /nfs/dbraw/zinc/35/42/43/1021354243.db2.gz SQFNEKNHKFWUTN-HSZRJFAPSA-N 2 1 379.548 3.790 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCc4ccc(C(C)=O)cc4C3)cc2)CC1 ZINC001140306760 1021364326 /nfs/dbraw/zinc/36/43/26/1021364326.db2.gz WSVOSMZVNDZION-UHFFFAOYSA-N 2 1 377.532 3.589 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCc4ccc(C(C)=O)cc4C3)cc2)CC1 ZINC001140306760 1021364345 /nfs/dbraw/zinc/36/43/45/1021364345.db2.gz WSVOSMZVNDZION-UHFFFAOYSA-N 2 1 377.532 3.589 20 10 GHCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2c1c(F)ccc2O ZINC000756434745 1023647775 /nfs/dbraw/zinc/64/77/75/1023647775.db2.gz OZLTWCLBHSCIKH-UZLBHIALSA-N 2 1 383.511 3.617 20 10 GHCDMP CN1CCOc2cc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)ccc21 ZINC001141146275 1023966630 /nfs/dbraw/zinc/96/66/30/1023966630.db2.gz QLLLWFMCLQKDGS-GOTSBHOMSA-N 2 1 391.559 3.859 20 10 GHCDMP CN1CCOc2cc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)CC[C@H]4C3)ccc21 ZINC001141146275 1023966635 /nfs/dbraw/zinc/96/66/35/1023966635.db2.gz QLLLWFMCLQKDGS-GOTSBHOMSA-N 2 1 391.559 3.859 20 10 GHCDMP CN1CCOc2cc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@H]4C3)ccc21 ZINC001141146275 1023966638 /nfs/dbraw/zinc/96/66/38/1023966638.db2.gz QLLLWFMCLQKDGS-GOTSBHOMSA-N 2 1 391.559 3.859 20 10 GHCDMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838920508 1025444736 /nfs/dbraw/zinc/44/47/36/1025444736.db2.gz CAFCHXOPJLQAKW-UHFFFAOYSA-N 2 1 377.330 3.734 20 10 GHCDMP CCN(Cc1cc(C[NH+](C)C)c(O)c(OC)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139258519 1026109766 /nfs/dbraw/zinc/10/97/66/1026109766.db2.gz QFZZELJIDYLVAF-QFIPXVFZSA-N 2 1 397.563 3.559 20 10 GHCDMP CC[N@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001139258519 1026109782 /nfs/dbraw/zinc/10/97/82/1026109782.db2.gz QFZZELJIDYLVAF-QFIPXVFZSA-N 2 1 397.563 3.559 20 10 GHCDMP CC[N@@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001139258519 1026109795 /nfs/dbraw/zinc/10/97/95/1026109795.db2.gz QFZZELJIDYLVAF-QFIPXVFZSA-N 2 1 397.563 3.559 20 10 GHCDMP CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410937 1026281852 /nfs/dbraw/zinc/28/18/52/1026281852.db2.gz MPSIAHYBPVVMLV-HSZRJFAPSA-N 2 1 379.548 3.922 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(F)c3Br)cc2)CC1 ZINC001203491164 1027378436 /nfs/dbraw/zinc/37/84/36/1027378436.db2.gz HYPGPKZZILLTQZ-UHFFFAOYSA-N 2 1 392.316 3.630 20 10 GHCDMP COc1cccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1O ZINC001203591273 1027456570 /nfs/dbraw/zinc/45/65/70/1027456570.db2.gz GATIWOJNNCDXEQ-OAQYLSRUSA-N 2 1 396.531 3.656 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)cc1 ZINC001203932938 1027727553 /nfs/dbraw/zinc/72/75/53/1027727553.db2.gz DTAVRCCYTRVNIF-UHFFFAOYSA-N 2 1 379.548 3.620 20 10 GHCDMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cn1cccn1 ZINC001461460223 1069559681 /nfs/dbraw/zinc/55/96/81/1069559681.db2.gz KEZFAPMREVXCFP-QFIPXVFZSA-N 2 1 390.531 3.552 20 10 GHCDMP CCN(Cc1ccccc1)c1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000843124769 1029816814 /nfs/dbraw/zinc/81/68/14/1029816814.db2.gz GLPQHPOWZGZNRX-HSZRJFAPSA-N 2 1 393.575 3.900 20 10 GHCDMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(C(C)(C)C)c3O)CC2)C1 ZINC001143116696 1029853504 /nfs/dbraw/zinc/85/35/04/1029853504.db2.gz KBTMVXVHMHVPQT-GOSISDBHSA-N 2 1 388.552 3.539 20 10 GHCDMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(C(C)(C)C)c3O)CC2)C1 ZINC001143116696 1029853509 /nfs/dbraw/zinc/85/35/09/1029853509.db2.gz KBTMVXVHMHVPQT-GOSISDBHSA-N 2 1 388.552 3.539 20 10 GHCDMP COc1ccc(Br)c(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1O ZINC001222168151 1029985613 /nfs/dbraw/zinc/98/56/13/1029985613.db2.gz VUIHFEDSRDLRQP-LJQANCHMSA-N 2 1 397.357 3.909 20 10 GHCDMP COc1ccc(Br)c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1O ZINC001222168151 1029985621 /nfs/dbraw/zinc/98/56/21/1029985621.db2.gz VUIHFEDSRDLRQP-LJQANCHMSA-N 2 1 397.357 3.909 20 10 GHCDMP CCOC(=O)[C@@H]1CC2(C[N@H+]1Cc1cccc(-c3ccccc3)c1O)CC[NH2+]CC2 ZINC001222225561 1030019953 /nfs/dbraw/zinc/01/99/53/1030019953.db2.gz FQKNCLVGLQQUSE-NRFANRHFSA-N 2 1 394.515 3.566 20 10 GHCDMP Cc1cc(Br)cc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1O ZINC001222608743 1030230895 /nfs/dbraw/zinc/23/08/95/1030230895.db2.gz DETCJWZTBBCMBJ-SFHVURJKSA-N 2 1 387.321 3.652 20 10 GHCDMP Cc1cc(Br)cc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c1O ZINC001222608743 1030230909 /nfs/dbraw/zinc/23/09/09/1030230909.db2.gz DETCJWZTBBCMBJ-SFHVURJKSA-N 2 1 387.321 3.652 20 10 GHCDMP Oc1ccc2ccccc2c1C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001231588681 1034744602 /nfs/dbraw/zinc/74/46/02/1034744602.db2.gz OEXOZOVOXIPIPN-UHFFFAOYSA-N 2 1 390.531 3.786 20 10 GHCDMP c1ccc2oc(-c3ccc(N4CC[NH+]([C@@H]5C[C@H]6CC[C@@H](C5)[NH2+]6)CC4)cc3)nc2c1 ZINC001247004523 1037828432 /nfs/dbraw/zinc/82/84/32/1037828432.db2.gz QJICBGRMRGETEI-CEQLMSFQSA-N 2 1 388.515 3.900 20 10 GHCDMP CN1CCC[C@@H]2C[N@@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@H]21 ZINC001233195706 1038961925 /nfs/dbraw/zinc/96/19/25/1038961925.db2.gz ONHPKYQGPKSDJU-RDTXWAMCSA-N 2 1 375.310 3.834 20 10 GHCDMP CC[NH+]1CCN(c2ccc(O[C@H]3CCC[N@H+]([C@H](C)c4ccccn4)C3)cc2)CC1 ZINC001234660046 1040195879 /nfs/dbraw/zinc/19/58/79/1040195879.db2.gz CIBPUVCEINYURN-OFNKIYASSA-N 2 1 394.563 3.828 20 10 GHCDMP Cc1cc(O)c(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)cc1Cl ZINC001235648025 1041088783 /nfs/dbraw/zinc/08/87/83/1041088783.db2.gz BKMCNGOAHKNXJN-UHFFFAOYSA-N 2 1 388.943 3.989 20 10 GHCDMP Cc1cc(O)c(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)cc1Cl ZINC001235648025 1041088809 /nfs/dbraw/zinc/08/88/09/1041088809.db2.gz BKMCNGOAHKNXJN-UHFFFAOYSA-N 2 1 388.943 3.989 20 10 GHCDMP COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236933560 1041964249 /nfs/dbraw/zinc/96/42/49/1041964249.db2.gz YLRJTHPMHMCSEO-SFHVURJKSA-N 2 1 383.511 3.576 20 10 GHCDMP COCCC[N@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@@H]1CC[NH2+]C1 ZINC001236946119 1041966713 /nfs/dbraw/zinc/96/67/13/1041966713.db2.gz LLZRFNVTZICIJZ-MRXNPFEDSA-N 2 1 393.325 3.508 20 10 GHCDMP COCCC[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@@H]1CC[NH2+]C1 ZINC001236946119 1041966716 /nfs/dbraw/zinc/96/67/16/1041966716.db2.gz LLZRFNVTZICIJZ-MRXNPFEDSA-N 2 1 393.325 3.508 20 10 GHCDMP C[NH+]1CCC(CN2CC[NH+](Cc3cc(-c4ccc(F)cc4)ccc3O)CC2)CC1 ZINC001237651188 1042304599 /nfs/dbraw/zinc/30/45/99/1042304599.db2.gz ZQMKCJBYSLQQEB-UHFFFAOYSA-N 2 1 397.538 3.658 20 10 GHCDMP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1cccc(F)c1O)CC2 ZINC001279525778 1047832550 /nfs/dbraw/zinc/83/25/50/1047832550.db2.gz XQSRYOVNXOCECC-UHFFFAOYSA-N 2 1 375.513 3.784 20 10 GHCDMP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(F)c1O)CC2 ZINC001279525778 1047832558 /nfs/dbraw/zinc/83/25/58/1047832558.db2.gz XQSRYOVNXOCECC-UHFFFAOYSA-N 2 1 375.513 3.784 20 10 GHCDMP CC(C)[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Nc1ccccc1 ZINC001318682266 1054794654 /nfs/dbraw/zinc/79/46/54/1054794654.db2.gz CFPJISIMWYPKLZ-JOCHJYFZSA-N 2 1 384.543 3.804 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)c3cccc4ccccc43)cc2F)CC1 ZINC001350136735 1064000346 /nfs/dbraw/zinc/00/03/46/1064000346.db2.gz SUNSVIXDNYQPNN-XMMPIXPASA-N 2 1 393.506 3.554 20 10 GHCDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000160342520 838518015 /nfs/dbraw/zinc/51/80/15/838518015.db2.gz VCMDRTPVXPZZNW-FQEVSTJZSA-N 2 1 380.580 3.741 20 10 GHCDMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000764640528 859545031 /nfs/dbraw/zinc/54/50/31/859545031.db2.gz MBUFHWQCOJETRB-GOSISDBHSA-N 2 1 379.976 3.949 20 10 GHCDMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cc4c(cc3O)CCCC4)CC2)nc(C)[nH+]1 ZINC000185655072 861127006 /nfs/dbraw/zinc/12/70/06/861127006.db2.gz SHOXFJLDVSRQJH-INIZCTEOSA-N 2 1 380.536 3.997 20 10 GHCDMP C[N@@H+](Cc1cc(Br)cs1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775654849 872395897 /nfs/dbraw/zinc/39/58/97/872395897.db2.gz PXMQOPYITGBOQY-UHFFFAOYSA-N 2 1 394.382 3.894 20 10 GHCDMP CCCN(CCC)c1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000809740795 887776260 /nfs/dbraw/zinc/77/62/60/887776260.db2.gz IVBHEJUSCDQSDM-DEOSSOPVSA-N 2 1 386.628 3.913 20 10 GHCDMP Cc1cc(Br)cc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1O ZINC000817940376 895968728 /nfs/dbraw/zinc/96/87/28/895968728.db2.gz MEBZQDRAZKGGMJ-CQSZACIVSA-N 2 1 378.314 3.689 20 10 GHCDMP CN(C)c1ccc([C@H](N)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000817941763 895970366 /nfs/dbraw/zinc/97/03/66/895970366.db2.gz KTPOFCXWNQFKEN-FOJYNEPKSA-N 2 1 380.580 3.785 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCc3c[nH]c4ccc(F)cc34)cc2F)CC1 ZINC001178709217 909202311 /nfs/dbraw/zinc/20/23/11/909202311.db2.gz DBIYKRNGQXCADP-UHFFFAOYSA-N 2 1 398.501 3.920 20 10 GHCDMP CC[C@@H](OCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccccc1 ZINC001179086321 909380961 /nfs/dbraw/zinc/38/09/61/909380961.db2.gz QHJQNDIKISYWQB-HSZRJFAPSA-N 2 1 385.527 3.835 20 10 GHCDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000246828429 910687878 /nfs/dbraw/zinc/68/78/78/910687878.db2.gz BOESIPCADQTKOW-RBUKOAKNSA-N 2 1 377.548 3.825 20 10 GHCDMP Oc1ccc2c(ccc(O)c2C[N@H+]2CC[C@@H](CF)C2)c1C[NH+]1CC[C@@H](CF)C1 ZINC000902367598 922131310 /nfs/dbraw/zinc/13/13/10/922131310.db2.gz CNTVOQWQQLWDAM-HOTGVXAUSA-N 2 1 390.474 3.834 20 10 GHCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(OCc2ccccc2)cc1O ZINC000753549560 929408751 /nfs/dbraw/zinc/40/87/51/929408751.db2.gz SLHIPNBSFQTJDD-SFLYRZDNSA-N 2 1 396.531 3.655 20 10 GHCDMP Cc1cccc(NC2CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)CC2)c1 ZINC001116444885 933562146 /nfs/dbraw/zinc/56/21/46/933562146.db2.gz CVXNEBWHQGYWTN-UHFFFAOYSA-N 2 1 396.554 3.962 20 10 GHCDMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc(C)ccc4O)CC3)C2)cc1 ZINC001140620407 1022090849 /nfs/dbraw/zinc/09/08/49/1022090849.db2.gz NHSQNNJKWSNRIN-UHFFFAOYSA-N 2 1 380.532 3.876 20 10 GHCDMP Cc1ccc(O)c(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c1 ZINC001140621090 1022093939 /nfs/dbraw/zinc/09/39/39/1022093939.db2.gz GYCBQCYKVMPAQP-VWNXMTODSA-N 2 1 384.564 3.661 20 10 GHCDMP Cc1ccc(O)c(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001140621090 1022093950 /nfs/dbraw/zinc/09/39/50/1022093950.db2.gz GYCBQCYKVMPAQP-VWNXMTODSA-N 2 1 384.564 3.661 20 10 GHCDMP Cc1ccc(O)c(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001140621090 1022093967 /nfs/dbraw/zinc/09/39/67/1022093967.db2.gz GYCBQCYKVMPAQP-VWNXMTODSA-N 2 1 384.564 3.661 20 10 GHCDMP Cc1c(O)ccc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c1O ZINC001140745266 1022416459 /nfs/dbraw/zinc/41/64/59/1022416459.db2.gz CEGFQGPVPQCFCN-UHFFFAOYSA-N 2 1 383.879 3.930 20 10 GHCDMP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1O ZINC000756432354 1023646759 /nfs/dbraw/zinc/64/67/59/1023646759.db2.gz QRMLQAPVFCPRDK-IBGZPJMESA-N 2 1 385.527 3.780 20 10 GHCDMP COc1cc(C[N@H+]2CCC[C@@H](Sc3ccncc3)C2)cc(C[NH+](C)C)c1O ZINC001139256668 1026106669 /nfs/dbraw/zinc/10/66/69/1026106669.db2.gz GOKVLRKGYHWFBC-LJQANCHMSA-N 2 1 387.549 3.614 20 10 GHCDMP COC(=O)c1cccc([C@H]2CCC[N@H+]2Cc2cc(C[NH+](C)C)c(O)c(OC)c2)c1 ZINC001139261186 1026111961 /nfs/dbraw/zinc/11/19/61/1026111961.db2.gz WKIHXOBINJWDKW-HXUWFJFHSA-N 2 1 398.503 3.586 20 10 GHCDMP C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139404527 1026276004 /nfs/dbraw/zinc/27/60/04/1026276004.db2.gz MQLJAZYOUZUBLJ-UHFFFAOYSA-N 2 1 392.469 3.527 20 10 GHCDMP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)ccc1N(C)C ZINC001139671144 1026526152 /nfs/dbraw/zinc/52/61/52/1026526152.db2.gz HOISLHQLVAUHLT-GPXNEJASSA-N 2 1 395.595 3.631 20 10 GHCDMP Cc1cc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1N(C)C ZINC001139671144 1026526162 /nfs/dbraw/zinc/52/61/62/1026526162.db2.gz HOISLHQLVAUHLT-GPXNEJASSA-N 2 1 395.595 3.631 20 10 GHCDMP Cc1cc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)ccc1N(C)C ZINC001139671144 1026526169 /nfs/dbraw/zinc/52/61/69/1026526169.db2.gz HOISLHQLVAUHLT-GPXNEJASSA-N 2 1 395.595 3.631 20 10 GHCDMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3C(C)C)C2)ccc1N(C)C ZINC001139671144 1026526173 /nfs/dbraw/zinc/52/61/73/1026526173.db2.gz HOISLHQLVAUHLT-GPXNEJASSA-N 2 1 395.595 3.631 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1 ZINC001203931053 1027722817 /nfs/dbraw/zinc/72/28/17/1027722817.db2.gz AGJAUQNCYJRBJB-NOZRDPDXSA-N 2 1 397.607 3.713 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1 ZINC001203931053 1027722828 /nfs/dbraw/zinc/72/28/28/1027722828.db2.gz AGJAUQNCYJRBJB-NOZRDPDXSA-N 2 1 397.607 3.713 20 10 GHCDMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(N(C)C)cc4)CC3)C2)cc1 ZINC001203932740 1027727305 /nfs/dbraw/zinc/72/73/05/1027727305.db2.gz BGVVODGWBVMPLZ-UHFFFAOYSA-N 2 1 393.575 3.928 20 10 GHCDMP C[C@H]1C[C@H]([NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)CC[NH2+]1 ZINC001247006943 1037831794 /nfs/dbraw/zinc/83/17/94/1037831794.db2.gz VXQPFYHZZMQSHC-FXAWDEMLSA-N 2 1 376.504 3.757 20 10 GHCDMP Oc1ccc2cc(Br)ccc2c1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001233199187 1038964521 /nfs/dbraw/zinc/96/45/21/1038964521.db2.gz WNGUMWCKKJQVER-UHFFFAOYSA-N 2 1 375.310 3.978 20 10 GHCDMP CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)c(F)c1)CCO2 ZINC001255164886 1040883173 /nfs/dbraw/zinc/88/31/73/1040883173.db2.gz MXVQMMPXYYOQQO-NRFANRHFSA-N 2 1 399.510 3.590 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235383146 1040902884 /nfs/dbraw/zinc/90/28/84/1040902884.db2.gz NSSBIBDFSAOZQW-JTSKRJEESA-N 2 1 386.923 3.807 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)c(Cl)c1 ZINC001235383146 1040902885 /nfs/dbraw/zinc/90/28/85/1040902885.db2.gz NSSBIBDFSAOZQW-JTSKRJEESA-N 2 1 386.923 3.807 20 10 GHCDMP CC[N@@H+](Cc1ccc(Br)cc1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235962604 1041469412 /nfs/dbraw/zinc/46/94/12/1041469412.db2.gz NUKFKDZOGUMLSF-UHFFFAOYSA-N 2 1 388.353 3.881 20 10 GHCDMP COc1cc(O)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(Br)c1 ZINC001236374867 1041687175 /nfs/dbraw/zinc/68/71/75/1041687175.db2.gz FZPWCEINRMKOJM-AWEZNQCLSA-N 2 1 397.357 3.908 20 10 GHCDMP COc1cc(C)c(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(O)c1 ZINC001236810724 1041910367 /nfs/dbraw/zinc/91/03/67/1041910367.db2.gz IZQOPQISCBCOEB-UHFFFAOYSA-N 2 1 381.520 3.592 20 10 GHCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001236951710 1041968733 /nfs/dbraw/zinc/96/87/33/1041968733.db2.gz ZXCIYNWPNFDXRK-NRFANRHFSA-N 2 1 379.548 3.647 20 10 GHCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCCN(CC[NH+](C)C)C3)C2)cc1Cl ZINC001279432638 1047804393 /nfs/dbraw/zinc/80/43/93/1047804393.db2.gz HFIHLOAIFFMYRJ-OAQYLSRUSA-N 2 1 379.976 3.594 20 10 GHCDMP Oc1cc(OCc2ccccc2)ccc1C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001332025410 1051440689 /nfs/dbraw/zinc/44/06/89/1051440689.db2.gz OLOXPCJWPURWGI-UHFFFAOYSA-N 2 1 396.531 3.704 20 10 GHCDMP COc1ccc([C@@H](C)CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001319108106 1055041858 /nfs/dbraw/zinc/04/18/58/1055041858.db2.gz JNEHREAICUNPKR-SFHVURJKSA-N 2 1 385.527 3.870 20 10 GHCDMP COc1ccccc1C(C)(C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001321651284 1056351840 /nfs/dbraw/zinc/35/18/40/1056351840.db2.gz VVHDURJAQYKYJS-UHFFFAOYSA-N 2 1 385.527 3.654 20 10 GHCDMP C[C@@H]1CCCN(c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2Cl)C1 ZINC000848548547 1057171339 /nfs/dbraw/zinc/17/13/39/1057171339.db2.gz HVTWFUGKYKYCHM-XLIONFOSSA-N 2 1 391.987 3.919 20 10 GHCDMP COc1ccccc1[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001324746270 1057217841 /nfs/dbraw/zinc/21/78/41/1057217841.db2.gz KPHLTSBTFQBMJO-IBGZPJMESA-N 2 1 383.511 3.576 20 10 GHCDMP COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001324746270 1057217846 /nfs/dbraw/zinc/21/78/46/1057217846.db2.gz KPHLTSBTFQBMJO-IBGZPJMESA-N 2 1 383.511 3.576 20 10 GHCDMP C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)C[NH+]1CCCCC1 ZINC000765237903 859851645 /nfs/dbraw/zinc/85/16/45/859851645.db2.gz KJIDJHSPEUJZMH-QZTJIDSGSA-N 2 1 379.976 3.949 20 10 GHCDMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000185207929 865744950 /nfs/dbraw/zinc/74/49/50/865744950.db2.gz ZBGUXFHBBYUOGM-MRXNPFEDSA-N 2 1 376.451 3.508 20 10 GHCDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000766977356 872132925 /nfs/dbraw/zinc/13/29/25/872132925.db2.gz XABAPJRXYCLBPG-UHFFFAOYSA-N 2 1 396.959 3.819 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(Br)cc3)cc2F)CC1 ZINC001199783649 875185828 /nfs/dbraw/zinc/18/58/28/875185828.db2.gz HQJUOXYOXUMKRW-UHFFFAOYSA-N 2 1 392.316 3.630 20 10 GHCDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876643825 893269801 /nfs/dbraw/zinc/26/98/01/893269801.db2.gz OAYYGRVSQNNXIE-RBBKRZOGSA-N 2 1 385.596 3.734 20 10 GHCDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876643825 893269806 /nfs/dbraw/zinc/26/98/06/893269806.db2.gz OAYYGRVSQNNXIE-RBBKRZOGSA-N 2 1 385.596 3.734 20 10 GHCDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876643825 893269819 /nfs/dbraw/zinc/26/98/19/893269819.db2.gz OAYYGRVSQNNXIE-RBBKRZOGSA-N 2 1 385.596 3.734 20 10 GHCDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876643825 893269835 /nfs/dbraw/zinc/26/98/35/893269835.db2.gz OAYYGRVSQNNXIE-RBBKRZOGSA-N 2 1 385.596 3.734 20 10 GHCDMP C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000876725944 893302300 /nfs/dbraw/zinc/30/23/00/893302300.db2.gz RBITWNOKBYMEIY-HSZRJFAPSA-N 2 1 393.575 3.602 20 10 GHCDMP C[NH+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876725944 893302313 /nfs/dbraw/zinc/30/23/13/893302313.db2.gz RBITWNOKBYMEIY-HSZRJFAPSA-N 2 1 393.575 3.602 20 10 GHCDMP C[NH+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876725944 893302333 /nfs/dbraw/zinc/30/23/33/893302333.db2.gz RBITWNOKBYMEIY-HSZRJFAPSA-N 2 1 393.575 3.602 20 10 GHCDMP Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000817983977 895993658 /nfs/dbraw/zinc/99/36/58/895993658.db2.gz SWXDIWHNMHBPCT-UBVWURDFSA-N 2 1 393.575 3.872 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778643774 897842087 /nfs/dbraw/zinc/84/20/87/897842087.db2.gz WIOJERSTNKTZSH-UGKGYDQZSA-N 2 1 397.538 3.663 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774973459 914310427 /nfs/dbraw/zinc/31/04/27/914310427.db2.gz AWZHFVIVMVSUSB-MRXNPFEDSA-N 2 1 399.491 3.973 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000774973459 914310437 /nfs/dbraw/zinc/31/04/37/914310437.db2.gz AWZHFVIVMVSUSB-MRXNPFEDSA-N 2 1 399.491 3.973 20 10 GHCDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C2)C1 ZINC000844903325 901486458 /nfs/dbraw/zinc/48/64/58/901486458.db2.gz XOACBWZLRFDHOW-IMSXRSKXSA-N 2 1 396.531 3.690 20 10 GHCDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC001179339005 909496895 /nfs/dbraw/zinc/49/68/95/909496895.db2.gz QEBAQTRJNARJAC-OFNKIYASSA-N 2 1 393.575 3.505 20 10 GHCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001116585196 933647906 /nfs/dbraw/zinc/64/79/06/933647906.db2.gz SOCVDOYRGWHTEP-NQIIRXRSSA-N 2 1 379.548 3.786 20 10 GHCDMP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1c(O)cccc1F)CC2 ZINC001137834661 935813453 /nfs/dbraw/zinc/81/34/53/935813453.db2.gz OOZCVYCZZCDBJM-INIZCTEOSA-N 2 1 390.524 3.848 20 10 GHCDMP C[N@@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1c(O)cccc1F)CC2 ZINC001137834661 935813457 /nfs/dbraw/zinc/81/34/57/935813457.db2.gz OOZCVYCZZCDBJM-INIZCTEOSA-N 2 1 390.524 3.848 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](Sc4ccncc4)C3)cc2)CC1 ZINC001140304066 1021354595 /nfs/dbraw/zinc/35/45/95/1021354595.db2.gz GYMMUPXPZPMCFL-QHCPKHFHSA-N 2 1 396.604 3.980 20 10 GHCDMP Cc1cc(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(C)n1-c1ccc(Cl)cn1 ZINC000827426786 1022165457 /nfs/dbraw/zinc/16/54/57/1022165457.db2.gz WOJLYLBMUZOZEO-UHFFFAOYSA-N 2 1 388.943 3.599 20 10 GHCDMP COc1cc(O)c(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC001141028851 1023278353 /nfs/dbraw/zinc/27/83/53/1023278353.db2.gz CGUNCSNGMRJDLL-UHFFFAOYSA-N 2 1 384.520 3.753 20 10 GHCDMP CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001461174385 1069426431 /nfs/dbraw/zinc/42/64/31/1069426431.db2.gz RBJGSFUOWRXWSF-NRFANRHFSA-N 2 1 383.511 3.753 20 10 GHCDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203934077 1027727389 /nfs/dbraw/zinc/72/73/89/1027727389.db2.gz TZJXCADAILMVLB-OYDLWJJNSA-N 2 1 378.564 3.880 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203934077 1027727411 /nfs/dbraw/zinc/72/74/11/1027727411.db2.gz TZJXCADAILMVLB-OYDLWJJNSA-N 2 1 378.564 3.880 20 10 GHCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203934077 1027727429 /nfs/dbraw/zinc/72/74/29/1027727429.db2.gz TZJXCADAILMVLB-OYDLWJJNSA-N 2 1 378.564 3.880 20 10 GHCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203934077 1027727448 /nfs/dbraw/zinc/72/74/48/1027727448.db2.gz TZJXCADAILMVLB-OYDLWJJNSA-N 2 1 378.564 3.880 20 10 GHCDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203934079 1027727817 /nfs/dbraw/zinc/72/78/17/1027727817.db2.gz TZJXCADAILMVLB-ZTCOLXNVSA-N 2 1 378.564 3.880 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203934079 1027727836 /nfs/dbraw/zinc/72/78/36/1027727836.db2.gz TZJXCADAILMVLB-ZTCOLXNVSA-N 2 1 378.564 3.880 20 10 GHCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203934079 1027727846 /nfs/dbraw/zinc/72/78/46/1027727846.db2.gz TZJXCADAILMVLB-ZTCOLXNVSA-N 2 1 378.564 3.880 20 10 GHCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001203934079 1027727859 /nfs/dbraw/zinc/72/78/59/1027727859.db2.gz TZJXCADAILMVLB-ZTCOLXNVSA-N 2 1 378.564 3.880 20 10 GHCDMP COc1ccc(N2CCC([NH2+]C[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)CC2)cc1 ZINC000842765666 1029573065 /nfs/dbraw/zinc/57/30/65/1029573065.db2.gz YKTWVLNJHDGICP-YKSBVNFPSA-N 2 1 379.548 3.599 20 10 GHCDMP Clc1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222172608 1029987777 /nfs/dbraw/zinc/98/77/77/1029987777.db2.gz LUYNNANVZYZGIM-QFIPXVFZSA-N 2 1 391.987 3.922 20 10 GHCDMP Clc1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222172608 1029987780 /nfs/dbraw/zinc/98/77/80/1029987780.db2.gz LUYNNANVZYZGIM-QFIPXVFZSA-N 2 1 391.987 3.922 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(O)c1 ZINC001232842275 1038592672 /nfs/dbraw/zinc/59/26/72/1038592672.db2.gz UWIXZDHNIJRGNP-LEWJYISDSA-N 2 1 379.548 3.802 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(O)c1 ZINC001232842275 1038592682 /nfs/dbraw/zinc/59/26/82/1038592682.db2.gz UWIXZDHNIJRGNP-LEWJYISDSA-N 2 1 379.548 3.802 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c(O)c1 ZINC001232842275 1038592687 /nfs/dbraw/zinc/59/26/87/1038592687.db2.gz UWIXZDHNIJRGNP-LEWJYISDSA-N 2 1 379.548 3.802 20 10 GHCDMP CC[NH+]1CCN(c2ccc(O[C@H]3CCN4Cc5ccccc5[NH+]=C34)cc2)CC1 ZINC001234660059 1040195347 /nfs/dbraw/zinc/19/53/47/1040195347.db2.gz COQFHSDSJZAWFA-QFIPXVFZSA-N 2 1 376.504 3.525 20 10 GHCDMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001235017898 1040504520 /nfs/dbraw/zinc/50/45/20/1040504520.db2.gz FYCHDKRTTCMPAH-UHFFFAOYSA-N 2 1 391.559 3.932 20 10 GHCDMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1ccc(N3CCCC3)cc1)CC2 ZINC001235017898 1040504544 /nfs/dbraw/zinc/50/45/44/1040504544.db2.gz FYCHDKRTTCMPAH-UHFFFAOYSA-N 2 1 391.559 3.932 20 10 GHCDMP CC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)Cc1c(F)cccc1Cl ZINC001236105288 1041538919 /nfs/dbraw/zinc/53/89/19/1041538919.db2.gz WXOSKVSFPHHIPJ-UHFFFAOYSA-N 2 1 377.891 3.616 20 10 GHCDMP CC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)Cc1c(F)cccc1Cl ZINC001236105288 1041538924 /nfs/dbraw/zinc/53/89/24/1041538924.db2.gz WXOSKVSFPHHIPJ-UHFFFAOYSA-N 2 1 377.891 3.616 20 10 GHCDMP CCc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c(O)c1 ZINC001236785587 1041891440 /nfs/dbraw/zinc/89/14/40/1041891440.db2.gz KZUDWFLSROJNSD-QFIPXVFZSA-N 2 1 395.547 3.605 20 10 GHCDMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(Cl)cc(C)c1O)C2 ZINC001237682464 1042322985 /nfs/dbraw/zinc/32/29/85/1042322985.db2.gz AGNDSNFRHVNYAB-NQIIRXRSSA-N 2 1 378.944 3.534 20 10 GHCDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(Cl)cc(C)c1O)C2 ZINC001237682464 1042322992 /nfs/dbraw/zinc/32/29/92/1042322992.db2.gz AGNDSNFRHVNYAB-NQIIRXRSSA-N 2 1 378.944 3.534 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(Cl)cc(C)c1O)C2 ZINC001237682464 1042322999 /nfs/dbraw/zinc/32/29/99/1042322999.db2.gz AGNDSNFRHVNYAB-NQIIRXRSSA-N 2 1 378.944 3.534 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(Cl)cc(C)c1O)C2 ZINC001237682464 1042323006 /nfs/dbraw/zinc/32/30/06/1042323006.db2.gz AGNDSNFRHVNYAB-NQIIRXRSSA-N 2 1 378.944 3.534 20 10 GHCDMP C[C@@H]1C[C@@H](NC2CC[NH+](Cc3ccccc3O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256532747 1043466575 /nfs/dbraw/zinc/46/65/75/1043466575.db2.gz KCFDPNGCMJTFCP-YKSBVNFPSA-N 2 1 393.575 3.999 20 10 GHCDMP C[C@@H]1C[C@H](NC2CC[NH+](Cc3ccccc3O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256532745 1043467498 /nfs/dbraw/zinc/46/74/98/1043467498.db2.gz KCFDPNGCMJTFCP-HYBUGGRVSA-N 2 1 393.575 3.999 20 10 GHCDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(N4CCCC4)cc3)c2)CCO1 ZINC001308220428 1049917370 /nfs/dbraw/zinc/91/73/70/1049917370.db2.gz XNRNNKKDTNBYRE-FQEVSTJZSA-N 2 1 379.548 3.797 20 10 GHCDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(N4CCCC4)cc3)c2)CCO1 ZINC001308220428 1049917374 /nfs/dbraw/zinc/91/73/74/1049917374.db2.gz XNRNNKKDTNBYRE-FQEVSTJZSA-N 2 1 379.548 3.797 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(Br)c3)cc2F)CC1 ZINC001308243397 1049924286 /nfs/dbraw/zinc/92/42/86/1049924286.db2.gz OAQAMWSXSKAEHE-UHFFFAOYSA-N 2 1 392.316 3.630 20 10 GHCDMP CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337082509 1052394439 /nfs/dbraw/zinc/39/44/39/1052394439.db2.gz KOCQMJRXWLCDNC-ZHRRBRCNSA-N 2 1 389.490 3.582 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC=C(c4ccc(O)cc4)CC3)cc2F)CC1 ZINC001320475838 1055824805 /nfs/dbraw/zinc/82/48/05/1055824805.db2.gz PCFMVUOVMMPAOQ-UHFFFAOYSA-N 2 1 381.495 3.572 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC=C(c4ccc(O)cc4)CC3)cc2F)CC1 ZINC001320475838 1055824818 /nfs/dbraw/zinc/82/48/18/1055824818.db2.gz PCFMVUOVMMPAOQ-UHFFFAOYSA-N 2 1 381.495 3.572 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1OC ZINC000160434901 839085262 /nfs/dbraw/zinc/08/52/62/839085262.db2.gz NSSAOHUDHQLXHN-TZIWHRDSSA-N 2 1 396.531 3.896 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1OC ZINC000160434901 839085271 /nfs/dbraw/zinc/08/52/71/839085271.db2.gz NSSAOHUDHQLXHN-TZIWHRDSSA-N 2 1 396.531 3.896 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1OC ZINC000160434901 839085282 /nfs/dbraw/zinc/08/52/82/839085282.db2.gz NSSAOHUDHQLXHN-TZIWHRDSSA-N 2 1 396.531 3.896 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1OC ZINC000160434901 839085290 /nfs/dbraw/zinc/08/52/90/839085290.db2.gz NSSAOHUDHQLXHN-TZIWHRDSSA-N 2 1 396.531 3.896 20 10 GHCDMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000765781833 854813536 /nfs/dbraw/zinc/81/35/36/854813536.db2.gz CFLQEBLIXNENAS-MSOLQXFVSA-N 2 1 379.976 3.948 20 10 GHCDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000765781833 854813543 /nfs/dbraw/zinc/81/35/43/854813543.db2.gz CFLQEBLIXNENAS-MSOLQXFVSA-N 2 1 379.976 3.948 20 10 GHCDMP COc1ccc([C@@H]2C[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4O)CC3)CCO2)cc1 ZINC001168619469 855140533 /nfs/dbraw/zinc/14/05/33/855140533.db2.gz ZCQKSMKHRJHCMG-URXFXBBRSA-N 2 1 396.531 3.875 20 10 GHCDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000157919320 857865902 /nfs/dbraw/zinc/86/59/02/857865902.db2.gz BOESIPCADQTKOW-OALUTQOASA-N 2 1 377.548 3.825 20 10 GHCDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc(OC)ccc3O)CC2)cs1 ZINC000185423241 866074388 /nfs/dbraw/zinc/07/43/88/866074388.db2.gz WKPADGUNELXPBY-OAHLLOKOSA-N 2 1 389.565 3.983 20 10 GHCDMP Cc1cc(Cl)cc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1O ZINC000775727289 873224600 /nfs/dbraw/zinc/22/46/00/873224600.db2.gz PRQYLTDRWOEUFV-UHFFFAOYSA-N 2 1 394.003 3.982 20 10 GHCDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000769344463 873989335 /nfs/dbraw/zinc/98/93/35/873989335.db2.gz YWBOHIMKCLAJAB-QHCPKHFHSA-N 2 1 379.548 3.661 20 10 GHCDMP CCCN(CCC)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000769523657 874130981 /nfs/dbraw/zinc/13/09/81/874130981.db2.gz CLVWGQUDNXIZLI-XUZZJYLKSA-N 2 1 386.628 3.771 20 10 GHCDMP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000787333630 877322289 /nfs/dbraw/zinc/32/22/89/877322289.db2.gz WUEUJJCNUAADIE-QFIPXVFZSA-N 2 1 387.955 3.911 20 10 GHCDMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762648121 886615328 /nfs/dbraw/zinc/61/53/28/886615328.db2.gz HQBDDKJEQMYAGV-OALUTQOASA-N 2 1 377.548 3.968 20 10 GHCDMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(N(C)C)cc1 ZINC000126702059 893799568 /nfs/dbraw/zinc/79/95/68/893799568.db2.gz IILXYEAUPQMWBE-DEOSSOPVSA-N 2 1 380.580 3.741 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778643624 897841526 /nfs/dbraw/zinc/84/15/26/897841526.db2.gz UUFBAFTWMAFLOK-OFNKIYASSA-N 2 1 379.548 3.523 20 10 GHCDMP CC[NH+]1CCN(c2ccc(CN3CCC4(CCC[N@H+]4CC4CC4)CC3)cc2)CC1 ZINC001140303630 1021352786 /nfs/dbraw/zinc/35/27/86/1021352786.db2.gz PGHVZIOEBRTJLV-UHFFFAOYSA-N 2 1 396.623 3.669 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[NH+]3CCC4(CCC[N@@H+]4CC4CC4)CC3)cc2)CC1 ZINC001140303630 1021352799 /nfs/dbraw/zinc/35/27/99/1021352799.db2.gz PGHVZIOEBRTJLV-UHFFFAOYSA-N 3 1 396.623 3.669 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[NH+]3CCC4(CCC[N@H+]4CC4CC4)CC3)cc2)CC1 ZINC001140303630 1021352817 /nfs/dbraw/zinc/35/28/17/1021352817.db2.gz PGHVZIOEBRTJLV-UHFFFAOYSA-N 3 1 396.623 3.669 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)cc2)CC1 ZINC001140304098 1021354027 /nfs/dbraw/zinc/35/40/27/1021354027.db2.gz HZOKCLUUXUYDEL-HSZRJFAPSA-N 3 1 384.612 3.669 20 10 GHCDMP CC[NH+]1CCN(c2ccc(CN3CCCC[C@@H]3CC[NH+]3CCCC3)cc2)CC1 ZINC001140304098 1021354043 /nfs/dbraw/zinc/35/40/43/1021354043.db2.gz HZOKCLUUXUYDEL-HSZRJFAPSA-N 2 1 384.612 3.669 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001141029181 1023279908 /nfs/dbraw/zinc/27/99/08/1023279908.db2.gz LKRITYNWMKFVIG-HSZRJFAPSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001141029181 1023279920 /nfs/dbraw/zinc/27/99/20/1023279920.db2.gz LKRITYNWMKFVIG-HSZRJFAPSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001141029181 1023279924 /nfs/dbraw/zinc/27/99/24/1023279924.db2.gz LKRITYNWMKFVIG-HSZRJFAPSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(OC)c1 ZINC001141029181 1023279934 /nfs/dbraw/zinc/27/99/34/1023279934.db2.gz LKRITYNWMKFVIG-HSZRJFAPSA-N 2 1 382.504 3.507 20 10 GHCDMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cc(Cl)ccc1O ZINC000756344343 1023598267 /nfs/dbraw/zinc/59/82/67/1023598267.db2.gz QBUHCGQWELXINT-YOEHRIQHSA-N 2 1 379.957 3.746 20 10 GHCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000756501595 1023686657 /nfs/dbraw/zinc/68/66/57/1023686657.db2.gz DTESSUUABAWORW-OAHLLOKOSA-N 2 1 388.533 3.803 20 10 GHCDMP CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3c(C)n(C)c4ccccc34)CC2)C1 ZINC001138253756 1024474195 /nfs/dbraw/zinc/47/41/95/1024474195.db2.gz FTWIFLQZAZKLHX-LJQANCHMSA-N 2 1 397.563 3.726 20 10 GHCDMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3c(C)n(C)c4ccccc34)CC2)C1 ZINC001138253756 1024474211 /nfs/dbraw/zinc/47/42/11/1024474211.db2.gz FTWIFLQZAZKLHX-LJQANCHMSA-N 2 1 397.563 3.726 20 10 GHCDMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000838986713 1025502688 /nfs/dbraw/zinc/50/26/88/1025502688.db2.gz VJSDYIUMEDOBCR-UHFFFAOYSA-N 2 1 378.358 3.791 20 10 GHCDMP COc1cccc(CN2CCC3(CCC[N@@H+]3Cc3c(C)noc3C)CC2)c1O ZINC001203592647 1027457915 /nfs/dbraw/zinc/45/79/15/1027457915.db2.gz UCFUXOYHTDUIIO-UHFFFAOYSA-N 2 1 385.508 3.636 20 10 GHCDMP COc1cccc(CN2CCC3(CCC[N@H+]3Cc3c(C)noc3C)CC2)c1O ZINC001203592647 1027457930 /nfs/dbraw/zinc/45/79/30/1027457930.db2.gz UCFUXOYHTDUIIO-UHFFFAOYSA-N 2 1 385.508 3.636 20 10 GHCDMP COc1ccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(O)c1 ZINC001203623928 1027486610 /nfs/dbraw/zinc/48/66/10/1027486610.db2.gz YJJFZXUEJRCKBO-UHFFFAOYSA-N 2 1 381.520 3.672 20 10 GHCDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3c(O)cc(C)cc3Cl)CC2)oc1C ZINC000840895924 1027930205 /nfs/dbraw/zinc/93/02/05/1027930205.db2.gz ATVIAXZKDBKDGN-UHFFFAOYSA-N 2 1 377.916 3.961 20 10 GHCDMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001231591897 1034745420 /nfs/dbraw/zinc/74/54/20/1034745420.db2.gz IREFEDNWCHZFIJ-QFIPXVFZSA-N 2 1 395.547 3.599 20 10 GHCDMP COc1cc(N(C)C)ccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC001231852697 1034943576 /nfs/dbraw/zinc/94/35/76/1034943576.db2.gz LWJFLUAWJKJTQU-UHFFFAOYSA-N 2 1 383.536 3.842 20 10 GHCDMP c1ccc2oc(-c3ccc(N4CC[NH+]([C@@H]5CCC[NH2+]CC5)CC4)cc3)nc2c1 ZINC001247000141 1037823133 /nfs/dbraw/zinc/82/31/33/1037823133.db2.gz HAQUCNTXHBRXAR-LJQANCHMSA-N 2 1 376.504 3.759 20 10 GHCDMP Oc1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235233436 1040714223 /nfs/dbraw/zinc/71/42/23/1040714223.db2.gz PZBYVFGLIPTCST-LPHOPBHVSA-N 2 1 380.385 3.782 20 10 GHCDMP Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235233436 1040714232 /nfs/dbraw/zinc/71/42/32/1040714232.db2.gz PZBYVFGLIPTCST-LPHOPBHVSA-N 2 1 380.385 3.782 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCN[C@H](c4ccc(Cl)cc4)C3)cc2)CC1 ZINC001235792819 1041288487 /nfs/dbraw/zinc/28/84/87/1041288487.db2.gz OIDRPEXDHRWBGR-QHCPKHFHSA-N 2 1 398.982 3.628 20 10 GHCDMP CC[NH+]1CCN(c2ccc(CN3CC[NH2+][C@H](c4ccc(Cl)cc4)C3)cc2)CC1 ZINC001235792819 1041288492 /nfs/dbraw/zinc/28/84/92/1041288492.db2.gz OIDRPEXDHRWBGR-QHCPKHFHSA-N 2 1 398.982 3.628 20 10 GHCDMP CC[C@H]1CO[C@](C)(CCC(C)C)[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235964151 1041468923 /nfs/dbraw/zinc/46/89/23/1041468923.db2.gz ZXVHMNDEMSYRND-SIKLNZKXSA-N 2 1 375.557 3.565 20 10 GHCDMP CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c(OC)c1 ZINC001236012465 1041505924 /nfs/dbraw/zinc/50/59/24/1041505924.db2.gz LXWKFWVOAMYOGA-QPPBQGQZSA-N 2 1 379.548 3.514 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c(OC)c1 ZINC001236012465 1041505931 /nfs/dbraw/zinc/50/59/31/1041505931.db2.gz LXWKFWVOAMYOGA-QPPBQGQZSA-N 2 1 379.548 3.514 20 10 GHCDMP COc1ccc(C[N@H+](Cc2cc(Cl)cc(OC)c2O)C2CC[NH2+]CC2)cc1 ZINC001236447359 1041717010 /nfs/dbraw/zinc/71/70/10/1041717010.db2.gz QKJWVAXSFHGMTC-UHFFFAOYSA-N 2 1 390.911 3.817 20 10 GHCDMP COc1ccc(C[N@@H+](Cc2cc(Cl)cc(OC)c2O)C2CC[NH2+]CC2)cc1 ZINC001236447359 1041717013 /nfs/dbraw/zinc/71/70/13/1041717013.db2.gz QKJWVAXSFHGMTC-UHFFFAOYSA-N 2 1 390.911 3.817 20 10 GHCDMP Clc1ccc(C[N@H+](Cc2ccc(N3CCOCC3)cc2)C2CC[NH2+]CC2)cc1 ZINC001236455467 1041719795 /nfs/dbraw/zinc/71/97/95/1041719795.db2.gz UYLHGYBOWVBPLC-UHFFFAOYSA-N 2 1 399.966 3.931 20 10 GHCDMP Clc1ccc(C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C2CC[NH2+]CC2)cc1 ZINC001236455467 1041719798 /nfs/dbraw/zinc/71/97/98/1041719798.db2.gz UYLHGYBOWVBPLC-UHFFFAOYSA-N 2 1 399.966 3.931 20 10 GHCDMP Cc1cc(F)cc(C[N@H+](Cc2ccc(N3CCOCC3)cc2)C2CC[NH2+]CC2)c1 ZINC001236481820 1041734586 /nfs/dbraw/zinc/73/45/86/1041734586.db2.gz BGPMVILMKGKFDS-UHFFFAOYSA-N 2 1 397.538 3.725 20 10 GHCDMP Cc1cc(F)cc(C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C2CC[NH2+]CC2)c1 ZINC001236481820 1041734591 /nfs/dbraw/zinc/73/45/91/1041734591.db2.gz BGPMVILMKGKFDS-UHFFFAOYSA-N 2 1 397.538 3.725 20 10 GHCDMP CCOc1cccc(C[N@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)c1O ZINC001236500138 1041741125 /nfs/dbraw/zinc/74/11/25/1041741125.db2.gz WLHMVIBQGBEMNA-UHFFFAOYSA-N 2 1 376.447 3.823 20 10 GHCDMP CCOc1cccc(C[N@@H+](Cc2ccc(F)c(F)c2)C2CC[NH2+]CC2)c1O ZINC001236500138 1041741134 /nfs/dbraw/zinc/74/11/34/1041741134.db2.gz WLHMVIBQGBEMNA-UHFFFAOYSA-N 2 1 376.447 3.823 20 10 GHCDMP CC(C)c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c(O)c1 ZINC001237048569 1042008012 /nfs/dbraw/zinc/00/80/12/1042008012.db2.gz LDHVDJOLBDSROC-ISKFKSNPSA-N 2 1 395.547 3.634 20 10 GHCDMP CC(C)c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccncc4)CCO[C@@H]3C2)c(O)c1 ZINC001237048569 1042008016 /nfs/dbraw/zinc/00/80/16/1042008016.db2.gz LDHVDJOLBDSROC-ISKFKSNPSA-N 2 1 395.547 3.634 20 10 GHCDMP CC(C)c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccncc4)CCO[C@@H]3C2)c(O)c1 ZINC001237048569 1042008023 /nfs/dbraw/zinc/00/80/23/1042008023.db2.gz LDHVDJOLBDSROC-ISKFKSNPSA-N 2 1 395.547 3.634 20 10 GHCDMP COc1ccc(Cl)cc1CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318431315 1054635344 /nfs/dbraw/zinc/63/53/44/1054635344.db2.gz JZRNRFONDRIINU-UHFFFAOYSA-N 2 1 391.918 3.572 20 10 GHCDMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001200704851 1056773220 /nfs/dbraw/zinc/77/32/20/1056773220.db2.gz WSZDDWBCNYOZLK-ZCYQVOJMSA-N 2 1 393.575 3.650 20 10 GHCDMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001200704851 1056773228 /nfs/dbraw/zinc/77/32/28/1056773228.db2.gz WSZDDWBCNYOZLK-ZCYQVOJMSA-N 2 1 393.575 3.650 20 10 GHCDMP COc1cc(Br)cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1O ZINC000848529678 1057152650 /nfs/dbraw/zinc/15/26/50/1057152650.db2.gz PRTCVPUFQGGFDP-LBPRGKRZSA-N 2 1 382.302 3.799 20 10 GHCDMP C[C@@H]1CCCN(c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2Cl)C1 ZINC000848548548 1057171036 /nfs/dbraw/zinc/17/10/36/1057171036.db2.gz HVTWFUGKYKYCHM-YLJYHZDGSA-N 2 1 391.987 3.919 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H](O)c3ccccc3)cc2F)CC1 ZINC001324743708 1057217179 /nfs/dbraw/zinc/21/71/79/1057217179.db2.gz DMFMMPIPTLNPPO-RPWUZVMVSA-N 2 1 397.538 3.666 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3[C@@H](O)c3ccccc3)cc2F)CC1 ZINC001324743708 1057217183 /nfs/dbraw/zinc/21/71/83/1057217183.db2.gz DMFMMPIPTLNPPO-RPWUZVMVSA-N 2 1 397.538 3.666 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCc3c[nH]c4ccccc34)cc2F)CC1 ZINC001327213546 1057623218 /nfs/dbraw/zinc/62/32/18/1057623218.db2.gz WWWMZEQAIMFHCH-UHFFFAOYSA-N 2 1 380.511 3.781 20 10 GHCDMP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1(CC)CC ZINC001474029863 1074241188 /nfs/dbraw/zinc/24/11/88/1074241188.db2.gz YOIRZQKVLRFNAO-RTWAWAEBSA-N 2 1 377.548 3.651 20 10 GHCDMP Cc1oc(-c2cccs2)nc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001474249354 1074310209 /nfs/dbraw/zinc/31/02/09/1074310209.db2.gz AVWAFGGMEPPWAP-UHFFFAOYSA-N 2 1 382.533 3.753 20 10 GHCDMP [NH3+]CC1(N(Cc2ccccc2)c2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)COC1 ZINC001167378617 839255039 /nfs/dbraw/zinc/25/50/39/839255039.db2.gz XOYIMQUCLAKZHK-UHFFFAOYSA-N 2 1 399.538 3.937 20 10 GHCDMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(C)cc1O ZINC000280014786 846259361 /nfs/dbraw/zinc/25/93/61/846259361.db2.gz GYEKTOQJURWTIO-UNMCSNQZSA-N 2 1 395.547 3.639 20 10 GHCDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000760713548 854574880 /nfs/dbraw/zinc/57/48/80/854574880.db2.gz PJXGQKRIZVYRGL-ZZYHAFTGSA-N 2 1 393.575 3.769 20 10 GHCDMP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000783596631 866219154 /nfs/dbraw/zinc/21/91/54/866219154.db2.gz ZIHMMFYNWFRDGG-UHFFFAOYSA-N 2 1 386.628 3.772 20 10 GHCDMP COc1cc(O)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1OC ZINC000768466003 873330957 /nfs/dbraw/zinc/33/09/57/873330957.db2.gz VDTXQZVLFGWOSV-UHFFFAOYSA-N 2 1 396.531 3.898 20 10 GHCDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000771817681 875494433 /nfs/dbraw/zinc/49/44/33/875494433.db2.gz COCJMGVVOKXSSS-UHFFFAOYSA-N 3 1 380.580 3.568 20 10 GHCDMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000771817681 875494437 /nfs/dbraw/zinc/49/44/37/875494437.db2.gz COCJMGVVOKXSSS-UHFFFAOYSA-N 2 1 380.580 3.568 20 10 GHCDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)c1 ZINC000771817681 875494441 /nfs/dbraw/zinc/49/44/41/875494441.db2.gz COCJMGVVOKXSSS-UHFFFAOYSA-N 2 1 380.580 3.568 20 10 GHCDMP COc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(O)c(C(C)(C)C)c1 ZINC000850357788 876848680 /nfs/dbraw/zinc/84/86/80/876848680.db2.gz VHXMOAJKMRZPTM-HXUWFJFHSA-N 2 1 398.547 3.555 20 10 GHCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000746645933 877198155 /nfs/dbraw/zinc/19/81/55/877198155.db2.gz FWFBRQHEWNTGOX-LDJQZATESA-N 2 1 384.520 3.701 20 10 GHCDMP Cc1cc(Br)cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1O ZINC000762652161 886621132 /nfs/dbraw/zinc/62/11/32/886621132.db2.gz WDYRTGYHOZSPPI-GJZGRUSLSA-N 2 1 385.346 3.615 20 10 GHCDMP Cc1cc(Br)cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1O ZINC000762652161 886621147 /nfs/dbraw/zinc/62/11/47/886621147.db2.gz WDYRTGYHOZSPPI-GJZGRUSLSA-N 2 1 385.346 3.615 20 10 GHCDMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]Cc3ccc4c(c3)CCO4)C3(C2)CCOCC3)cc1 ZINC000815149191 893522470 /nfs/dbraw/zinc/52/24/70/893522470.db2.gz CPVLVDFQAWVQFZ-QHCPKHFHSA-N 2 1 392.543 3.640 20 10 GHCDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877525125 893667262 /nfs/dbraw/zinc/66/72/62/893667262.db2.gz ROWPMYXHBPJFBJ-UHFFFAOYSA-N 2 1 381.564 3.731 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000774947202 914154626 /nfs/dbraw/zinc/15/46/26/914154626.db2.gz DBFHJDRHIYBSDB-UHFFFAOYSA-N 2 1 399.491 3.831 20 10 GHCDMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000132326187 897757204 /nfs/dbraw/zinc/75/72/04/897757204.db2.gz NSCHPJCWUSYLCW-LJQANCHMSA-N 2 1 397.538 3.978 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000844909391 901568159 /nfs/dbraw/zinc/56/81/59/901568159.db2.gz BCWQBWLRFYROOQ-KFKAGJAMSA-N 2 1 385.474 3.632 20 10 GHCDMP Oc1cc(O)c(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)c(O)c1 ZINC001144515682 902319315 /nfs/dbraw/zinc/31/93/15/902319315.db2.gz DJWXKSPLQLFRJT-UHFFFAOYSA-N 2 1 382.504 3.682 20 10 GHCDMP CC[N@@H+](CCC1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1)CC(C)C ZINC000773273235 904645478 /nfs/dbraw/zinc/64/54/78/904645478.db2.gz XOPRNVADOOJINR-UHFFFAOYSA-N 2 1 378.557 3.989 20 10 GHCDMP COc1cc(O)c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1OC ZINC000802656555 922314969 /nfs/dbraw/zinc/31/49/69/922314969.db2.gz QITIFQPIBBIPKC-JOCHJYFZSA-N 2 1 384.520 3.800 20 10 GHCDMP COc1cc(O)c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1OC ZINC000802656555 922314983 /nfs/dbraw/zinc/31/49/83/922314983.db2.gz QITIFQPIBBIPKC-JOCHJYFZSA-N 2 1 384.520 3.800 20 10 GHCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(OCc2ccccc2)cc1O ZINC000753549558 929408804 /nfs/dbraw/zinc/40/88/04/929408804.db2.gz SLHIPNBSFQTJDD-JCTONOIOSA-N 2 1 396.531 3.655 20 10 GHCDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[C@H]2CCC[C@@H]21 ZINC000796774127 932062492 /nfs/dbraw/zinc/06/24/92/932062492.db2.gz DCTJVPGTICPYDS-XCLNPWKQSA-N 2 1 379.495 3.719 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC([C@@H](O)c4ccccc4)CC3)cc2F)CC1 ZINC001116436803 933557495 /nfs/dbraw/zinc/55/74/95/933557495.db2.gz HRWUSRPPJVMURU-DEOSSOPVSA-N 2 1 397.538 3.523 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CCc3ccc(OC)c(OC)c3)cc2)CC1 ZINC001140301123 1021347022 /nfs/dbraw/zinc/34/70/22/1021347022.db2.gz ZZKQJKKJYIJDDQ-UHFFFAOYSA-N 2 1 397.563 3.520 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](Oc4ccccc4C)C3)cc2)CC1 ZINC001140304522 1021353829 /nfs/dbraw/zinc/35/38/29/1021353829.db2.gz SQFNEKNHKFWUTN-QHCPKHFHSA-N 2 1 379.548 3.790 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)[C@@H](C)Cc3ccccc3OC)cc2)CC1 ZINC001140306209 1021361961 /nfs/dbraw/zinc/36/19/61/1021361961.db2.gz PFJKVPYOEWMBPX-FQEVSTJZSA-N 2 1 381.564 3.900 20 10 GHCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)Cc1ccc2c(c1)OCO2 ZINC001140309691 1021370050 /nfs/dbraw/zinc/37/00/50/1021370050.db2.gz QTEDDBFLAAHKQM-UHFFFAOYSA-N 2 1 381.520 3.579 20 10 GHCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000756461841 1023665041 /nfs/dbraw/zinc/66/50/41/1023665041.db2.gz WHYWMJVVAHFKGP-KRWDZBQOSA-N 2 1 382.504 3.742 20 10 GHCDMP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000756531813 1023701108 /nfs/dbraw/zinc/70/11/08/1023701108.db2.gz AYIBQQMEHOPZBT-YADARESESA-N 2 1 393.575 3.910 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cccc(OC(F)(F)F)c1 ZINC001139411535 1026283540 /nfs/dbraw/zinc/28/35/40/1026283540.db2.gz QVELECWFEZXINB-UHFFFAOYSA-N 2 1 393.453 3.969 20 10 GHCDMP Cc1c2ccccc2n(C)c1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC001461147317 1069413627 /nfs/dbraw/zinc/41/36/27/1069413627.db2.gz FTDAHWNQRWEKLH-JOCHJYFZSA-N 2 1 376.548 3.565 20 10 GHCDMP Oc1ccc(Cl)cc1C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001203656496 1027511350 /nfs/dbraw/zinc/51/13/50/1027511350.db2.gz PWZFVFPIIMBSFS-UHFFFAOYSA-N 2 1 392.952 3.974 20 10 GHCDMP Oc1ccc(Cl)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001203656496 1027511351 /nfs/dbraw/zinc/51/13/51/1027511351.db2.gz PWZFVFPIIMBSFS-UHFFFAOYSA-N 2 1 392.952 3.974 20 10 GHCDMP COc1ccc(O)c(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001203673289 1027523027 /nfs/dbraw/zinc/52/30/27/1027523027.db2.gz UGZDKGJRIIRJED-UHFFFAOYSA-N 2 1 381.520 3.672 20 10 GHCDMP CC[C@@H]1C[C@H]([NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)CC[NH2+]1 ZINC001247004343 1037830954 /nfs/dbraw/zinc/83/09/54/1037830954.db2.gz PDDSFVLKXSJJIV-FYYLOGMGSA-N 2 1 379.548 3.918 20 10 GHCDMP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Oc1ccc(Cl)cc1 ZINC001252164738 1038895365 /nfs/dbraw/zinc/89/53/65/1038895365.db2.gz PFDXLONSDXUEHX-MRXNPFEDSA-N 2 1 391.918 3.788 20 10 GHCDMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233484305 1039381217 /nfs/dbraw/zinc/38/12/17/1039381217.db2.gz GBWSZHVXRBUJCN-JCGIZDLHSA-N 2 1 388.533 3.597 20 10 GHCDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233484305 1039381221 /nfs/dbraw/zinc/38/12/21/1039381221.db2.gz GBWSZHVXRBUJCN-JCGIZDLHSA-N 2 1 388.533 3.597 20 10 GHCDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233484305 1039381231 /nfs/dbraw/zinc/38/12/31/1039381231.db2.gz GBWSZHVXRBUJCN-JCGIZDLHSA-N 2 1 388.533 3.597 20 10 GHCDMP C[NH+]1CCC(C[NH+]2CCN(Cc3cccc(-c4ccccc4)c3O)CC2)CC1 ZINC001234998864 1040492194 /nfs/dbraw/zinc/49/21/94/1040492194.db2.gz OSXGDLYFIPXQMO-UHFFFAOYSA-N 2 1 379.548 3.519 20 10 GHCDMP Oc1ccc(Br)cc1C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377767 1040888855 /nfs/dbraw/zinc/88/88/55/1040888855.db2.gz DBFNHLKBLKKYPC-QUCCMNQESA-N 2 1 387.321 3.734 20 10 GHCDMP Oc1ccc(Br)cc1C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235377767 1040888871 /nfs/dbraw/zinc/88/88/71/1040888871.db2.gz DBFNHLKBLKKYPC-QUCCMNQESA-N 2 1 387.321 3.734 20 10 GHCDMP CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(N3CC[NH2+]CC3)cc2O)cc1 ZINC001235840037 1041368497 /nfs/dbraw/zinc/36/84/97/1041368497.db2.gz JHTHBBTVFCGEPX-QFIPXVFZSA-N 2 1 381.520 3.538 20 10 GHCDMP CC[N@@H+](Cc1ccc(Br)cc1)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001235962064 1041468376 /nfs/dbraw/zinc/46/83/76/1041468376.db2.gz JMXJEOSBGCNVFQ-UHFFFAOYSA-N 2 1 391.309 3.659 20 10 GHCDMP COC(=O)c1cccc(C[N@H+](Cc2ccc(N(C)C)c(C)c2)C2CC[NH2+]CC2)c1 ZINC001236466022 1041728387 /nfs/dbraw/zinc/72/83/87/1041728387.db2.gz VRFROBNEIJAILI-UHFFFAOYSA-N 2 1 395.547 3.602 20 10 GHCDMP COC(=O)c1cccc(C[N@@H+](Cc2ccc(N(C)C)c(C)c2)C2CC[NH2+]CC2)c1 ZINC001236466022 1041728393 /nfs/dbraw/zinc/72/83/93/1041728393.db2.gz VRFROBNEIJAILI-UHFFFAOYSA-N 2 1 395.547 3.602 20 10 GHCDMP COc1ccc(C[N@H+](Cc2c(O)ccc(F)c2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545742 1041758794 /nfs/dbraw/zinc/75/87/94/1041758794.db2.gz SGTRSBVZXUHPHZ-WKILWMFISA-N 2 1 376.447 3.951 20 10 GHCDMP COc1ccc(C[N@@H+](Cc2c(O)ccc(F)c2F)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545742 1041758800 /nfs/dbraw/zinc/75/88/00/1041758800.db2.gz SGTRSBVZXUHPHZ-WKILWMFISA-N 2 1 376.447 3.951 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1OC ZINC001236755666 1041873881 /nfs/dbraw/zinc/87/38/81/1041873881.db2.gz FVGLMCCGFIXZER-UXHICEINSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1OC ZINC001236755666 1041873890 /nfs/dbraw/zinc/87/38/90/1041873890.db2.gz FVGLMCCGFIXZER-UXHICEINSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1OC ZINC001236755666 1041873894 /nfs/dbraw/zinc/87/38/94/1041873894.db2.gz FVGLMCCGFIXZER-UXHICEINSA-N 2 1 396.531 3.753 20 10 GHCDMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C(C)C)cc3O)CC2)C1 ZINC001237051975 1042010216 /nfs/dbraw/zinc/01/02/16/1042010216.db2.gz PXBWCEDWVLZLQH-HXUWFJFHSA-N 2 1 388.552 3.755 20 10 GHCDMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C(C)C)cc3O)CC2)C1 ZINC001237051975 1042010225 /nfs/dbraw/zinc/01/02/25/1042010225.db2.gz PXBWCEDWVLZLQH-HXUWFJFHSA-N 2 1 388.552 3.755 20 10 GHCDMP Oc1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237418179 1042199406 /nfs/dbraw/zinc/19/94/06/1042199406.db2.gz WTPXLPNPHJWZJT-KBXCAEBGSA-N 2 1 375.310 3.882 20 10 GHCDMP Cc1cc(F)cc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c1O ZINC001238059567 1042478186 /nfs/dbraw/zinc/47/81/86/1042478186.db2.gz ACVVYYVRQNPPCM-LJQANCHMSA-N 2 1 388.483 3.688 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(OC(F)F)c(F)c3)cc2F)CC1 ZINC001261238160 1045934448 /nfs/dbraw/zinc/93/44/48/1045934448.db2.gz SRXUIWHFZDRZRW-UHFFFAOYSA-N 2 1 397.416 3.608 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccccc3CC(F)(F)F)cc2F)CC1 ZINC001329531116 1050831001 /nfs/dbraw/zinc/83/10/01/1050831001.db2.gz QHXBMCDIPNCSGD-UHFFFAOYSA-N 2 1 395.444 3.972 20 10 GHCDMP Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)N(C)C ZINC001320617683 1055904204 /nfs/dbraw/zinc/90/42/04/1055904204.db2.gz GTXGOOUYLBKGBP-CYFREDJKSA-N 2 1 398.570 3.667 20 10 GHCDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000160342652 838518696 /nfs/dbraw/zinc/51/86/96/838518696.db2.gz VCMDRTPVXPZZNW-HXUWFJFHSA-N 2 1 380.580 3.741 20 10 GHCDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(O)c1OC ZINC000893020269 839952404 /nfs/dbraw/zinc/95/24/04/839952404.db2.gz PFHDCIQPGFMAPN-KDOFPFPSSA-N 2 1 376.522 3.644 20 10 GHCDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(O)c1OC ZINC000893020269 839952414 /nfs/dbraw/zinc/95/24/14/839952414.db2.gz PFHDCIQPGFMAPN-KDOFPFPSSA-N 2 1 376.522 3.644 20 10 GHCDMP COc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4O)CC3)CCO2)cc1 ZINC001168619473 855140473 /nfs/dbraw/zinc/14/04/73/855140473.db2.gz ZCQKSMKHRJHCMG-ZJSXRUAMSA-N 2 1 396.531 3.875 20 10 GHCDMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(O)cccc3Cl)C2)ccn1 ZINC000856560906 881445089 /nfs/dbraw/zinc/44/50/89/881445089.db2.gz PXRNFGNFZHLOAZ-SFHVURJKSA-N 2 1 389.927 3.934 20 10 GHCDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)ccn1 ZINC000856560906 881445098 /nfs/dbraw/zinc/44/50/98/881445098.db2.gz PXRNFGNFZHLOAZ-SFHVURJKSA-N 2 1 389.927 3.934 20 10 GHCDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C2)ccn1 ZINC000856560906 881445102 /nfs/dbraw/zinc/44/51/02/881445102.db2.gz PXRNFGNFZHLOAZ-SFHVURJKSA-N 2 1 389.927 3.934 20 10 GHCDMP CCc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(O)c(C(C)(C)C)c1 ZINC000738168869 865500455 /nfs/dbraw/zinc/50/04/55/865500455.db2.gz BPINOPIZMOPGJR-OAQYLSRUSA-N 2 1 387.612 3.854 20 10 GHCDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000769344459 873988801 /nfs/dbraw/zinc/98/88/01/873988801.db2.gz YWBOHIMKCLAJAB-HSZRJFAPSA-N 2 1 379.548 3.661 20 10 GHCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc2oc3ccccc3c2cc1O ZINC000746647359 877198409 /nfs/dbraw/zinc/19/84/09/877198409.db2.gz IILLTRYEJOFPNA-HFXUHXBXSA-N 2 1 380.488 3.975 20 10 GHCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119317152 886898503 /nfs/dbraw/zinc/89/85/03/886898503.db2.gz YRLQIHQINBVTEP-UHFFFAOYSA-N 2 1 379.548 3.620 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119317152 886898518 /nfs/dbraw/zinc/89/85/18/886898518.db2.gz YRLQIHQINBVTEP-UHFFFAOYSA-N 2 1 379.548 3.620 20 10 GHCDMP COc1ccc(N2CCC([NH2+]CCC[N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000122785434 890078805 /nfs/dbraw/zinc/07/88/05/890078805.db2.gz WHOASPFWAQFWQL-UHFFFAOYSA-N 2 1 379.548 3.702 20 10 GHCDMP COc1ccc(N2CCC([NH2+]CCC[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000122785434 890078825 /nfs/dbraw/zinc/07/88/25/890078825.db2.gz WHOASPFWAQFWQL-UHFFFAOYSA-N 2 1 379.548 3.702 20 10 GHCDMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144509955 902309924 /nfs/dbraw/zinc/30/99/24/902309924.db2.gz OJBIIPOFOQVEOW-POZUXBRTSA-N 2 1 388.533 3.597 20 10 GHCDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144509955 902309930 /nfs/dbraw/zinc/30/99/30/902309930.db2.gz OJBIIPOFOQVEOW-POZUXBRTSA-N 2 1 388.533 3.597 20 10 GHCDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144509955 902309933 /nfs/dbraw/zinc/30/99/33/902309933.db2.gz OJBIIPOFOQVEOW-POZUXBRTSA-N 2 1 388.533 3.597 20 10 GHCDMP Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(O)c1 ZINC000293679624 916325559 /nfs/dbraw/zinc/32/55/59/916325559.db2.gz KHQKBLGRDMWQLF-WIYYLYMNSA-N 2 1 395.547 3.557 20 10 GHCDMP COc1cc(O)c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1OC ZINC000802656558 922314630 /nfs/dbraw/zinc/31/46/30/922314630.db2.gz QITIFQPIBBIPKC-QFIPXVFZSA-N 2 1 384.520 3.800 20 10 GHCDMP COc1cc(O)c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1OC ZINC000802656558 922314643 /nfs/dbraw/zinc/31/46/43/922314643.db2.gz QITIFQPIBBIPKC-QFIPXVFZSA-N 2 1 384.520 3.800 20 10 GHCDMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000753850161 929562574 /nfs/dbraw/zinc/56/25/74/929562574.db2.gz JVDFCPQXOFBMKF-URXFXBBRSA-N 2 1 393.575 3.914 20 10 GHCDMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(N3CCOCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000753850167 929563115 /nfs/dbraw/zinc/56/31/15/929563115.db2.gz JVDFCPQXOFBMKF-XUZZJYLKSA-N 2 1 393.575 3.914 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c(OC)c1 ZINC001141031047 1023297084 /nfs/dbraw/zinc/29/70/84/1023297084.db2.gz VZCNGWNFODKXNA-KUIWHINRSA-N 2 1 398.547 3.804 20 10 GHCDMP COc1cc(O)c(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c(OC)c1 ZINC001141031047 1023297096 /nfs/dbraw/zinc/29/70/96/1023297096.db2.gz VZCNGWNFODKXNA-KUIWHINRSA-N 2 1 398.547 3.804 20 10 GHCDMP COc1cc(O)c(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c(OC)c1 ZINC001141031047 1023297106 /nfs/dbraw/zinc/29/71/06/1023297106.db2.gz VZCNGWNFODKXNA-KUIWHINRSA-N 2 1 398.547 3.804 20 10 GHCDMP CN1CCOc2cc(C[NH+]3CCC4(CC[N@@H+](Cc5ccoc5)C4)CC3)ccc21 ZINC001141141838 1023572517 /nfs/dbraw/zinc/57/25/17/1023572517.db2.gz XWCJVNTVURYZIC-UHFFFAOYSA-N 2 1 381.520 3.596 20 10 GHCDMP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000756531808 1023700794 /nfs/dbraw/zinc/70/07/94/1023700794.db2.gz AYIBQQMEHOPZBT-CYFREDJKSA-N 2 1 393.575 3.910 20 10 GHCDMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1cc2c(cc1O)CCCC2 ZINC000756601798 1023732106 /nfs/dbraw/zinc/73/21/06/1023732106.db2.gz BAIUQDMZDDGJHT-KUWBRRTOSA-N 2 1 394.559 3.805 20 10 GHCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1cc2c(cc1O)CCCC2 ZINC000756601798 1023732117 /nfs/dbraw/zinc/73/21/17/1023732117.db2.gz BAIUQDMZDDGJHT-KUWBRRTOSA-N 2 1 394.559 3.805 20 10 GHCDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc2ccccc2c1O ZINC000756606163 1023734447 /nfs/dbraw/zinc/73/44/47/1023734447.db2.gz WDGXDMOPCPZYSB-HOYKHHGWSA-N 2 1 376.500 3.833 20 10 GHCDMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc2ccccc2c1O ZINC000756606163 1023734453 /nfs/dbraw/zinc/73/44/53/1023734453.db2.gz WDGXDMOPCPZYSB-HOYKHHGWSA-N 2 1 376.500 3.833 20 10 GHCDMP COc1cc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)cc(C[NH+](C)C)c1O ZINC001139259829 1026110130 /nfs/dbraw/zinc/11/01/30/1026110130.db2.gz DFZNBFJSFRVIMK-UHFFFAOYSA-N 3 1 389.584 3.691 20 10 GHCDMP COc1cc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)cc(C[NH+](C)C)c1O ZINC001139259829 1026110139 /nfs/dbraw/zinc/11/01/39/1026110139.db2.gz DFZNBFJSFRVIMK-UHFFFAOYSA-N 3 1 389.584 3.691 20 10 GHCDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203934076 1027726113 /nfs/dbraw/zinc/72/61/13/1027726113.db2.gz TZJXCADAILMVLB-NKKJXINNSA-N 2 1 378.564 3.880 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203934076 1027726128 /nfs/dbraw/zinc/72/61/28/1027726128.db2.gz TZJXCADAILMVLB-NKKJXINNSA-N 2 1 378.564 3.880 20 10 GHCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203934076 1027726143 /nfs/dbraw/zinc/72/61/43/1027726143.db2.gz TZJXCADAILMVLB-NKKJXINNSA-N 2 1 378.564 3.880 20 10 GHCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001203934076 1027726156 /nfs/dbraw/zinc/72/61/56/1027726156.db2.gz TZJXCADAILMVLB-NKKJXINNSA-N 2 1 378.564 3.880 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)cc2)CC1 ZINC001222167683 1029985375 /nfs/dbraw/zinc/98/53/75/1029985375.db2.gz PBWZGWCXARLBII-XMMPIXPASA-N 3 1 384.612 3.574 20 10 GHCDMP Cc1cc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)n1-c1ccccc1 ZINC001207018055 1034055284 /nfs/dbraw/zinc/05/52/84/1034055284.db2.gz NBHWRZTZUZVTSZ-XMMPIXPASA-N 2 1 381.564 3.870 20 10 GHCDMP Cc1cc(C)c(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c(O)c1 ZINC001231844757 1034938384 /nfs/dbraw/zinc/93/83/84/1034938384.db2.gz PHNAIAPYSGEKDN-NRFANRHFSA-N 2 1 395.547 3.660 20 10 GHCDMP Cc1cc(C)c(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c(O)c1 ZINC001231844477 1034938768 /nfs/dbraw/zinc/93/87/68/1034938768.db2.gz JGNNENWZQLAHAA-RDGATRHJSA-N 2 1 398.591 3.970 20 10 GHCDMP Cc1cc(C)c(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c(O)c1 ZINC001231844477 1034938772 /nfs/dbraw/zinc/93/87/72/1034938772.db2.gz JGNNENWZQLAHAA-RDGATRHJSA-N 2 1 398.591 3.970 20 10 GHCDMP Cc1cc(C)c(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c(O)c1 ZINC001231844477 1034938776 /nfs/dbraw/zinc/93/87/76/1034938776.db2.gz JGNNENWZQLAHAA-RDGATRHJSA-N 2 1 398.591 3.970 20 10 GHCDMP Cc1cc(O)c(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)cc1Cl ZINC001231869529 1034955998 /nfs/dbraw/zinc/95/59/98/1034955998.db2.gz PNTYKIWKADPSIH-UHFFFAOYSA-N 2 1 388.943 3.595 20 10 GHCDMP Cc1cccc2c(CC[NH2+]Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)c[nH]c21 ZINC001252164681 1038894167 /nfs/dbraw/zinc/89/41/67/1038894167.db2.gz ODUCRBZAZPDKPW-UHFFFAOYSA-N 2 1 380.511 3.700 20 10 GHCDMP CN1CCC[C@H]2C[N@@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@@H]21 ZINC001233195705 1038962100 /nfs/dbraw/zinc/96/21/00/1038962100.db2.gz ONHPKYQGPKSDJU-KSSFIOAISA-N 2 1 375.310 3.834 20 10 GHCDMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4cc(O)c(O)cc4O)CC3)C2)cc1 ZINC001233484363 1039381395 /nfs/dbraw/zinc/38/13/95/1039381395.db2.gz INIWAQZHSXVKGI-UHFFFAOYSA-N 2 1 396.531 3.990 20 10 GHCDMP CC[NH+]1CCN(c2ccc(O[C@@H]3CCC[N@H+]([C@@H](C)c4ccccn4)C3)cc2)CC1 ZINC001234660044 1040195190 /nfs/dbraw/zinc/19/51/90/1040195190.db2.gz CIBPUVCEINYURN-NZQKXSOJSA-N 2 1 394.563 3.828 20 10 GHCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC001235792547 1041288000 /nfs/dbraw/zinc/28/80/00/1041288000.db2.gz DFHAYGARRQNOIB-SANMLTNESA-N 2 1 399.538 3.950 20 10 GHCDMP CCOc1ccc([C@H]2CCC[N@H+]2Cc2ccc(N3CC[NH2+]CC3)cc2O)cc1 ZINC001235840035 1041368185 /nfs/dbraw/zinc/36/81/85/1041368185.db2.gz JHTHBBTVFCGEPX-JOCHJYFZSA-N 2 1 381.520 3.538 20 10 GHCDMP COc1ccc(Br)c(C[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1O ZINC001236550331 1041758241 /nfs/dbraw/zinc/75/82/41/1041758241.db2.gz DDVMEWANMMVTKY-HDJSIYSDSA-N 2 1 385.346 3.891 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC001236571951 1041766455 /nfs/dbraw/zinc/76/64/55/1041766455.db2.gz NSYVTJLTLGIALL-SAIGFBBZSA-N 3 1 384.612 3.843 20 10 GHCDMP COc1cc(C[N@@H+](Cc2cccc(C)c2)[C@H]2CC[C@H]([NH3+])CC2)c(O)c(OC)c1 ZINC001236740753 1041869039 /nfs/dbraw/zinc/86/90/39/1041869039.db2.gz GDZVBYSPHOPSEC-MXVIHJGJSA-N 2 1 384.520 3.990 20 10 GHCDMP CC(C)c1ccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c(O)c1 ZINC001237049575 1042008995 /nfs/dbraw/zinc/00/89/95/1042008995.db2.gz XSHFDRCAVRCDJK-UHFFFAOYSA-N 2 1 382.552 3.756 20 10 GHCDMP COc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679634 1042321194 /nfs/dbraw/zinc/32/11/94/1042321194.db2.gz XCNRAOPWMHAYKD-QHCPKHFHSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679634 1042321201 /nfs/dbraw/zinc/32/12/01/1042321201.db2.gz XCNRAOPWMHAYKD-QHCPKHFHSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679634 1042321209 /nfs/dbraw/zinc/32/12/09/1042321209.db2.gz XCNRAOPWMHAYKD-QHCPKHFHSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679634 1042321215 /nfs/dbraw/zinc/32/12/15/1042321215.db2.gz XCNRAOPWMHAYKD-QHCPKHFHSA-N 2 1 382.504 3.507 20 10 GHCDMP C[C@H]1C[C@@H](NC2CC[NH+](Cc3ccccc3O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256532746 1043467941 /nfs/dbraw/zinc/46/79/41/1043467941.db2.gz KCFDPNGCMJTFCP-RDPSFJRHSA-N 2 1 393.575 3.999 20 10 GHCDMP CCOC(=O)c1ccc(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC001257154854 1043903783 /nfs/dbraw/zinc/90/37/83/1043903783.db2.gz VPLUTNYXCNXWKW-SFHVURJKSA-N 2 1 396.531 3.754 20 10 GHCDMP Oc1ccc(Cl)c(Cl)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279676592 1047910684 /nfs/dbraw/zinc/91/06/84/1047910684.db2.gz IIBBXYYOGTXUNP-GASCZTMLSA-N 2 1 395.334 3.766 20 10 GHCDMP Oc1ccc(Cl)c(Cl)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279676592 1047910692 /nfs/dbraw/zinc/91/06/92/1047910692.db2.gz IIBBXYYOGTXUNP-GASCZTMLSA-N 2 1 395.334 3.766 20 10 GHCDMP Oc1ccc(Cl)c(Cl)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279676592 1047910694 /nfs/dbraw/zinc/91/06/94/1047910694.db2.gz IIBBXYYOGTXUNP-GASCZTMLSA-N 2 1 395.334 3.766 20 10 GHCDMP Oc1ccc(Cl)c(Cl)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001279676592 1047910696 /nfs/dbraw/zinc/91/06/96/1047910696.db2.gz IIBBXYYOGTXUNP-GASCZTMLSA-N 2 1 395.334 3.766 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]C(C)(C)COCc3ccccc3)cc2F)CC1 ZINC001344578381 1054576393 /nfs/dbraw/zinc/57/63/93/1054576393.db2.gz DSUYODMSGFVTEE-UHFFFAOYSA-N 2 1 385.527 3.663 20 10 GHCDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001200820543 1056988803 /nfs/dbraw/zinc/98/88/03/1056988803.db2.gz IOFLPOCBQXBGOI-AUSIDOKSSA-N 2 1 397.538 3.663 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3(Sc4ccccc4)CC3)cc2F)CC1 ZINC001338784002 1058784128 /nfs/dbraw/zinc/78/41/28/1058784128.db2.gz SUEAVMVVRJRHCR-UHFFFAOYSA-N 2 1 385.552 3.992 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCCCC(=O)OC(C)(C)C)cc2F)CC1 ZINC001474109387 1074265973 /nfs/dbraw/zinc/26/59/73/1074265973.db2.gz HXJHKHUAIADMHT-UHFFFAOYSA-N 2 1 393.547 3.569 20 10 GHCDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001474349493 1074356794 /nfs/dbraw/zinc/35/67/94/1074356794.db2.gz UIHZXTMAAAFEKL-UHFFFAOYSA-N 2 1 383.527 3.601 20 10 GHCDMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000178189428 836602312 /nfs/dbraw/zinc/60/23/12/836602312.db2.gz XYTSYHFDROIRLG-UHFFFAOYSA-N 2 1 399.501 3.895 20 10 GHCDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(O)c1OC ZINC000893020270 839952351 /nfs/dbraw/zinc/95/23/51/839952351.db2.gz PFHDCIQPGFMAPN-KSSFIOAISA-N 2 1 376.522 3.644 20 10 GHCDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(O)c1OC ZINC000893020270 839952362 /nfs/dbraw/zinc/95/23/62/839952362.db2.gz PFHDCIQPGFMAPN-KSSFIOAISA-N 2 1 376.522 3.644 20 10 GHCDMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000766120865 857242147 /nfs/dbraw/zinc/24/21/47/857242147.db2.gz CLZHDKPWEILRLJ-YFNKSVMNSA-N 2 1 381.564 3.676 20 10 GHCDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000766120865 857242151 /nfs/dbraw/zinc/24/21/51/857242151.db2.gz CLZHDKPWEILRLJ-YFNKSVMNSA-N 2 1 381.564 3.676 20 10 GHCDMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(N(C)C)cc1 ZINC000766120861 857242211 /nfs/dbraw/zinc/24/22/11/857242211.db2.gz CLZHDKPWEILRLJ-OEMFJLHTSA-N 2 1 381.564 3.676 20 10 GHCDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(N(C)C)cc1 ZINC000766120861 857242215 /nfs/dbraw/zinc/24/22/15/857242215.db2.gz CLZHDKPWEILRLJ-OEMFJLHTSA-N 2 1 381.564 3.676 20 10 GHCDMP CCOc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c(O)c1 ZINC000856560183 881440949 /nfs/dbraw/zinc/44/09/49/881440949.db2.gz KZWDODFIZFXVNU-QFIPXVFZSA-N 2 1 399.535 3.679 20 10 GHCDMP CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c(O)c1 ZINC000856560183 881440940 /nfs/dbraw/zinc/44/09/40/881440940.db2.gz KZWDODFIZFXVNU-QFIPXVFZSA-N 2 1 399.535 3.679 20 10 GHCDMP CCOc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c(O)c1 ZINC000856560183 881440944 /nfs/dbraw/zinc/44/09/44/881440944.db2.gz KZWDODFIZFXVNU-QFIPXVFZSA-N 2 1 399.535 3.679 20 10 GHCDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000456167372 866167272 /nfs/dbraw/zinc/16/72/72/866167272.db2.gz KNWQZUSUHDHULN-UHFFFAOYSA-N 2 1 398.595 3.644 20 10 GHCDMP CCN(CC)c1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000920957246 882473303 /nfs/dbraw/zinc/47/33/03/882473303.db2.gz STKFPTYREFXMAQ-NRFANRHFSA-N 2 1 386.609 3.673 20 10 GHCDMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000182234854 872063076 /nfs/dbraw/zinc/06/30/76/872063076.db2.gz HJSUUNHPNCMOJI-RPWUZVMVSA-N 2 1 381.564 3.950 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000775647367 872249112 /nfs/dbraw/zinc/24/91/12/872249112.db2.gz VVPDZWKKTNFTDR-JOCHJYFZSA-N 2 1 393.531 3.547 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3CC(=O)c3ccccc3)cc2)CC1 ZINC000775720996 873144137 /nfs/dbraw/zinc/14/41/37/873144137.db2.gz ROXFZTYMACAFDY-QHCPKHFHSA-N 2 1 377.532 3.676 20 10 GHCDMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000762648126 886615281 /nfs/dbraw/zinc/61/52/81/886615281.db2.gz HQBDDKJEQMYAGV-RTBURBONSA-N 2 1 377.548 3.968 20 10 GHCDMP OC1CCN(c2ccc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cc2)CC1 ZINC000877485279 893640259 /nfs/dbraw/zinc/64/02/59/893640259.db2.gz OUTSAXSYXMSTOE-UHFFFAOYSA-N 2 1 394.563 3.560 20 10 GHCDMP Oc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171520079 904795903 /nfs/dbraw/zinc/79/59/03/904795903.db2.gz LTZLJEQHCJBIHO-KRWDZBQOSA-N 2 1 390.449 3.921 20 10 GHCDMP COC1CCN(c2ccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)CC1 ZINC000294977647 917077873 /nfs/dbraw/zinc/07/78/73/917077873.db2.gz OTZUUUKBIBIVOG-HYBUGGRVSA-N 2 1 383.580 3.751 20 10 GHCDMP COC1CCN(c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)CC1 ZINC000294977647 917077878 /nfs/dbraw/zinc/07/78/78/917077878.db2.gz OTZUUUKBIBIVOG-HYBUGGRVSA-N 2 1 383.580 3.751 20 10 GHCDMP COC1CCN(c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2)CC1 ZINC000294977647 917077889 /nfs/dbraw/zinc/07/78/89/917077889.db2.gz OTZUUUKBIBIVOG-HYBUGGRVSA-N 2 1 383.580 3.751 20 10 GHCDMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CCO1 ZINC000827855320 926083956 /nfs/dbraw/zinc/08/39/56/926083956.db2.gz AQUUZUNAFDLSNV-QFIPXVFZSA-N 2 1 384.520 3.514 20 10 GHCDMP c1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc(N5CCCC5)cc4)C[C@@H]3C2)ccn1 ZINC001204322589 1032766121 /nfs/dbraw/zinc/76/61/21/1032766121.db2.gz KXLNBSRWVFCOMF-PKTZIBPZSA-N 2 1 376.548 3.636 20 10 GHCDMP c1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc(N5CCCC5)cc4)C[C@@H]3C2)ccn1 ZINC001204322589 1032766136 /nfs/dbraw/zinc/76/61/36/1032766136.db2.gz KXLNBSRWVFCOMF-PKTZIBPZSA-N 2 1 376.548 3.636 20 10 GHCDMP c1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc(N5CCCC5)cc4)C[C@@H]3C2)ccn1 ZINC001204322589 1032766151 /nfs/dbraw/zinc/76/61/51/1032766151.db2.gz KXLNBSRWVFCOMF-PKTZIBPZSA-N 2 1 376.548 3.636 20 10 GHCDMP c1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc(N5CCCC5)cc4)C[C@@H]3C2)ccn1 ZINC001204322589 1032766169 /nfs/dbraw/zinc/76/61/69/1032766169.db2.gz KXLNBSRWVFCOMF-PKTZIBPZSA-N 2 1 376.548 3.636 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](Oc4cccc(F)c4)C3)cc2)CC1 ZINC001140309750 1021370492 /nfs/dbraw/zinc/37/04/92/1021370492.db2.gz STFAHNIXTWUCDA-HSZRJFAPSA-N 2 1 383.511 3.621 20 10 GHCDMP CC[N@H+]1CCCC[C@@H]1c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC001156658823 1033161592 /nfs/dbraw/zinc/16/15/92/1033161592.db2.gz GWHHFZHTVYEIRU-HSZRJFAPSA-N 2 1 393.579 3.992 20 10 GHCDMP CCOC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3c(C)n(C)c4ccccc34)CC2)C1 ZINC001138253755 1024473942 /nfs/dbraw/zinc/47/39/42/1024473942.db2.gz FTWIFLQZAZKLHX-IBGZPJMESA-N 2 1 397.563 3.726 20 10 GHCDMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3c(C)n(C)c4ccccc34)CC2)C1 ZINC001138253755 1024473970 /nfs/dbraw/zinc/47/39/70/1024473970.db2.gz FTWIFLQZAZKLHX-IBGZPJMESA-N 2 1 397.563 3.726 20 10 GHCDMP CCN(CC)c1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)c(OC)c1 ZINC001138388310 1024762838 /nfs/dbraw/zinc/76/28/38/1024762838.db2.gz VQHLGXMTYRYFEB-UHFFFAOYSA-N 2 1 382.552 3.984 20 10 GHCDMP COc1cccc(C[C@@H]2CCC[N@@H+](Cc3cc(C[NH+](C)C)c(O)c(OC)c3)C2)c1 ZINC001139260035 1026110528 /nfs/dbraw/zinc/11/05/28/1026110528.db2.gz IGCMXJBPUIECEW-IBGZPJMESA-N 2 1 398.547 3.926 20 10 GHCDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001203492129 1027379651 /nfs/dbraw/zinc/37/96/51/1027379651.db2.gz UJPVUJNLEMAALH-UHFFFAOYSA-N 3 1 394.607 3.686 20 10 GHCDMP COc1cc(Br)cc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c1O ZINC000843108205 1029812663 /nfs/dbraw/zinc/81/26/63/1029812663.db2.gz KQVBRANFBQLDAA-UHFFFAOYSA-N 2 1 379.298 3.514 20 10 GHCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CCC1(F)F ZINC001205788526 1033573073 /nfs/dbraw/zinc/57/30/73/1033573073.db2.gz ORUFWUDXPWGVAV-GFCCVEGCSA-N 2 1 385.252 3.724 20 10 GHCDMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cccc(C)c1O)CC2 ZINC001231591895 1034745964 /nfs/dbraw/zinc/74/59/64/1034745964.db2.gz IREFEDNWCHZFIJ-JOCHJYFZSA-N 2 1 395.547 3.599 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254039025 1039968665 /nfs/dbraw/zinc/96/86/65/1039968665.db2.gz WOOCZPFBJSXGCT-UHFFFAOYSA-N 2 1 393.575 3.746 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c(O)c1 ZINC001235355325 1040834093 /nfs/dbraw/zinc/83/40/93/1040834093.db2.gz OAIPRFIWBCMFDM-ISKFKSNPSA-N 2 1 379.548 3.818 20 10 GHCDMP Oc1cccc(Br)c1C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235381593 1040901804 /nfs/dbraw/zinc/90/18/04/1040901804.db2.gz ZYCDSQMOQDWCFC-XLIONFOSSA-N 2 1 387.321 3.734 20 10 GHCDMP Oc1cccc(Br)c1C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235381593 1040901805 /nfs/dbraw/zinc/90/18/05/1040901805.db2.gz ZYCDSQMOQDWCFC-XLIONFOSSA-N 2 1 387.321 3.734 20 10 GHCDMP CC[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001236285761 1041659584 /nfs/dbraw/zinc/65/95/84/1041659584.db2.gz FRXUJJYQHKDRIT-UHFFFAOYSA-N 2 1 380.410 3.915 20 10 GHCDMP Clc1cc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)ccc1N1CCOCC1 ZINC001236375292 1041687701 /nfs/dbraw/zinc/68/77/01/1041687701.db2.gz IWBNRXJKGBBEMR-IBGZPJMESA-N 2 1 391.987 3.921 20 10 GHCDMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(N3CCOCC3)cc2F)C2CCCC2)CC1 ZINC001236572382 1041766888 /nfs/dbraw/zinc/76/68/88/1041766888.db2.gz WVTMEFWUMQUUCU-KESTWPANSA-N 2 1 375.532 3.677 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1OC ZINC001236755665 1041874026 /nfs/dbraw/zinc/87/40/26/1041874026.db2.gz FVGLMCCGFIXZER-PMACEKPBSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1OC ZINC001236755665 1041874032 /nfs/dbraw/zinc/87/40/32/1041874032.db2.gz FVGLMCCGFIXZER-PMACEKPBSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1OC ZINC001236755665 1041874035 /nfs/dbraw/zinc/87/40/35/1041874035.db2.gz FVGLMCCGFIXZER-PMACEKPBSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cccc(CCC[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2F)c1 ZINC001236941553 1041966276 /nfs/dbraw/zinc/96/62/76/1041966276.db2.gz CMHGHODQBXHSBF-UHFFFAOYSA-N 2 1 385.527 3.651 20 10 GHCDMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001237159526 1042070763 /nfs/dbraw/zinc/07/07/63/1042070763.db2.gz CBXGBKCJIWBKJZ-UHFFFAOYSA-N 2 1 380.319 3.741 20 10 GHCDMP CCN(CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1cccc(C)c1 ZINC001308183038 1049904136 /nfs/dbraw/zinc/90/41/36/1049904136.db2.gz BKVKBTBOUFZEDJ-UHFFFAOYSA-N 2 1 384.543 3.502 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCOc4c(F)cccc43)cc2F)CC1 ZINC001308352030 1049955761 /nfs/dbraw/zinc/95/57/61/1049955761.db2.gz DBCYJQBXLNTGFU-FQEVSTJZSA-N 2 1 387.474 3.720 20 10 GHCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC001323828479 1057020354 /nfs/dbraw/zinc/02/03/54/1057020354.db2.gz AAEXWFDEQATGKF-DUXKGJEZSA-N 2 1 380.532 3.995 20 10 GHCDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001337786771 1058262398 /nfs/dbraw/zinc/26/23/98/1058262398.db2.gz YCUQNSJERBXYMQ-FGTMMUONSA-N 2 1 385.577 3.889 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)c3cccc4ccccc43)cc2F)CC1 ZINC001350136733 1064000592 /nfs/dbraw/zinc/00/05/92/1064000592.db2.gz SUNSVIXDNYQPNN-DEOSSOPVSA-N 2 1 393.506 3.554 20 10 GHCDMP COc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1Cl ZINC001350837780 1064199896 /nfs/dbraw/zinc/19/98/96/1064199896.db2.gz KLFOSUSBPFJULP-UHFFFAOYSA-N 2 1 377.891 3.529 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](c3ccccc3)N3CCCC3)cc2F)CC1 ZINC001473913681 1074201351 /nfs/dbraw/zinc/20/13/51/1074201351.db2.gz KJCSXOCKUMYVHI-DEOSSOPVSA-N 2 1 396.554 3.504 20 10 GHCDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]1c1cccs1 ZINC001474019033 1074237470 /nfs/dbraw/zinc/23/74/70/1074237470.db2.gz LDGAMEXPABYPHN-UGKGYDQZSA-N 2 1 385.577 3.757 20 10 GHCDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H]1c1cccs1 ZINC001474019033 1074237475 /nfs/dbraw/zinc/23/74/75/1074237475.db2.gz LDGAMEXPABYPHN-UGKGYDQZSA-N 2 1 385.577 3.757 20 10 GHCDMP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000182243427 839017187 /nfs/dbraw/zinc/01/71/87/839017187.db2.gz NKKXNBMIMQHOAM-NTKDMRAZSA-N 2 1 381.564 3.950 20 10 GHCDMP COc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000850011334 876597062 /nfs/dbraw/zinc/59/70/62/876597062.db2.gz NYGHIUFUNHCAHI-UHFFFAOYSA-N 2 1 398.547 3.820 20 10 GHCDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)[C@@H](C)C1 ZINC000850137631 876691862 /nfs/dbraw/zinc/69/18/62/876691862.db2.gz RASMCAJQKJKAEI-UWJYYQICSA-N 2 1 392.584 3.925 20 10 GHCDMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(N4CCCCC4)cc3)cc2)C1 ZINC000850357334 876848288 /nfs/dbraw/zinc/84/82/88/876848288.db2.gz GAMFHWIOTCIYJY-XMMPIXPASA-N 2 1 379.548 3.533 20 10 GHCDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000850406556 876888056 /nfs/dbraw/zinc/88/80/56/876888056.db2.gz LFRXAXXABNYTBI-NZQKXSOJSA-N 2 1 393.575 3.790 20 10 GHCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000746645930 877198336 /nfs/dbraw/zinc/19/83/36/877198336.db2.gz FWFBRQHEWNTGOX-FXCLAUTBSA-N 2 1 384.520 3.701 20 10 GHCDMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1O ZINC000788736826 878311965 /nfs/dbraw/zinc/31/19/65/878311965.db2.gz WOAQXPMUFULCRL-WMLDXEAASA-N 2 1 394.437 3.828 20 10 GHCDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(C(F)(F)F)c1O ZINC000788736826 878311978 /nfs/dbraw/zinc/31/19/78/878311978.db2.gz WOAQXPMUFULCRL-WMLDXEAASA-N 2 1 394.437 3.828 20 10 GHCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1O ZINC000808693151 886647943 /nfs/dbraw/zinc/64/79/43/886647943.db2.gz XUCOOZZAXNHULI-DYESRHJHSA-N 2 1 387.955 3.993 20 10 GHCDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876643826 893269387 /nfs/dbraw/zinc/26/93/87/893269387.db2.gz OAYYGRVSQNNXIE-UNMCSNQZSA-N 2 1 385.596 3.734 20 10 GHCDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876643826 893269408 /nfs/dbraw/zinc/26/94/08/893269408.db2.gz OAYYGRVSQNNXIE-UNMCSNQZSA-N 2 1 385.596 3.734 20 10 GHCDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876643826 893269426 /nfs/dbraw/zinc/26/94/26/893269426.db2.gz OAYYGRVSQNNXIE-UNMCSNQZSA-N 2 1 385.596 3.734 20 10 GHCDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876643826 893269445 /nfs/dbraw/zinc/26/94/45/893269445.db2.gz OAYYGRVSQNNXIE-UNMCSNQZSA-N 2 1 385.596 3.734 20 10 GHCDMP CC[NH+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000774909403 914006173 /nfs/dbraw/zinc/00/61/73/914006173.db2.gz MOQKSDADIJCFGF-GOSISDBHSA-N 2 1 399.491 3.653 20 10 GHCDMP C[NH+](C)Cc1cnc(C[NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)s1 ZINC000796281839 914116696 /nfs/dbraw/zinc/11/66/96/914116696.db2.gz ZVCKZLNUXCRZSA-UHFFFAOYSA-N 2 1 396.507 3.565 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000774958941 914236283 /nfs/dbraw/zinc/23/62/83/914236283.db2.gz ZXNRRBYXQREWEF-UHFFFAOYSA-N 2 1 385.464 3.585 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336872 912204117 /nfs/dbraw/zinc/20/41/17/912204117.db2.gz LCWSMFSZJQIDJN-JOCHJYFZSA-N 2 1 397.538 3.616 20 10 GHCDMP C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336872 912204136 /nfs/dbraw/zinc/20/41/36/912204136.db2.gz LCWSMFSZJQIDJN-JOCHJYFZSA-N 2 1 397.538 3.616 20 10 GHCDMP C[NH+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336872 912204151 /nfs/dbraw/zinc/20/41/51/912204151.db2.gz LCWSMFSZJQIDJN-JOCHJYFZSA-N 2 1 397.538 3.616 20 10 GHCDMP C[NH+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336872 912204173 /nfs/dbraw/zinc/20/41/73/912204173.db2.gz LCWSMFSZJQIDJN-JOCHJYFZSA-N 2 1 397.538 3.616 20 10 GHCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000751150986 928050530 /nfs/dbraw/zinc/05/05/30/928050530.db2.gz DNGLGYBKBBBZME-DENIHFKCSA-N 2 1 397.538 3.805 20 10 GHCDMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)[C@H]2CCC[C@@H]21 ZINC000796747268 932052215 /nfs/dbraw/zinc/05/22/15/932052215.db2.gz UUHFZGKEPGLOPE-AABGKKOBSA-N 2 1 379.495 3.719 20 10 GHCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Cc1ccccc1N1CCCC1 ZINC001116439499 933558910 /nfs/dbraw/zinc/55/89/10/933558910.db2.gz DBBCOULSEZXJTF-UHFFFAOYSA-N 2 1 396.554 3.810 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Cc1ccccc1N1CCCC1 ZINC001116439499 933558912 /nfs/dbraw/zinc/55/89/12/933558912.db2.gz DBBCOULSEZXJTF-UHFFFAOYSA-N 2 1 396.554 3.810 20 10 GHCDMP CC[C@]1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)OCCc2ccccc21 ZINC001117670639 933976025 /nfs/dbraw/zinc/97/60/25/933976025.db2.gz GKAPANBALGURRP-XMMPIXPASA-N 2 1 397.538 3.545 20 10 GHCDMP Cc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccc1N(C)C ZINC001139670940 935556232 /nfs/dbraw/zinc/55/62/32/935556232.db2.gz GVTFTFYALDLKNL-UHFFFAOYSA-N 2 1 378.564 3.944 20 10 GHCDMP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1c(O)cccc1F)CC2 ZINC001137834782 935813908 /nfs/dbraw/zinc/81/39/08/935813908.db2.gz SOGDUAQSUUNCNH-LJQANCHMSA-N 2 1 384.495 3.787 20 10 GHCDMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1c(O)cccc1F)CC2 ZINC001137834782 935813911 /nfs/dbraw/zinc/81/39/11/935813911.db2.gz SOGDUAQSUUNCNH-LJQANCHMSA-N 2 1 384.495 3.787 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](Oc4cccc(F)c4)C3)cc2)CC1 ZINC001140309751 1021371353 /nfs/dbraw/zinc/37/13/53/1021371353.db2.gz STFAHNIXTWUCDA-QHCPKHFHSA-N 2 1 383.511 3.621 20 10 GHCDMP Cc1ccc(O)c(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1 ZINC001140621087 1022094145 /nfs/dbraw/zinc/09/41/45/1022094145.db2.gz GYCBQCYKVMPAQP-UPVQGACJSA-N 2 1 384.564 3.661 20 10 GHCDMP Cc1ccc(O)c(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001140621087 1022094155 /nfs/dbraw/zinc/09/41/55/1022094155.db2.gz GYCBQCYKVMPAQP-UPVQGACJSA-N 2 1 384.564 3.661 20 10 GHCDMP Cc1ccc(O)c(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001140621087 1022094174 /nfs/dbraw/zinc/09/41/74/1022094174.db2.gz GYCBQCYKVMPAQP-UPVQGACJSA-N 2 1 384.564 3.661 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(OC)c1 ZINC001141032995 1023301472 /nfs/dbraw/zinc/30/14/72/1023301472.db2.gz WKYYOIXPWQUEIT-UXHICEINSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c(OC)c1 ZINC001141032995 1023301477 /nfs/dbraw/zinc/30/14/77/1023301477.db2.gz WKYYOIXPWQUEIT-UXHICEINSA-N 2 1 396.531 3.753 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c(OC)c1 ZINC001141032995 1023301480 /nfs/dbraw/zinc/30/14/80/1023301480.db2.gz WKYYOIXPWQUEIT-UXHICEINSA-N 2 1 396.531 3.753 20 10 GHCDMP CCOC(=O)C1CC[NH+](C2CC[NH+](Cc3c(C)n(C)c4ccccc34)CC2)CC1 ZINC001138253937 1024475582 /nfs/dbraw/zinc/47/55/82/1024475582.db2.gz LFRZEUMPZZNRHL-UHFFFAOYSA-N 2 1 397.563 3.726 20 10 GHCDMP COc1cccc(C[C@@H]2CCC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)c1 ZINC001139410925 1026282422 /nfs/dbraw/zinc/28/24/22/1026282422.db2.gz MASHBHVHQYAKHU-QHCPKHFHSA-N 2 1 393.575 3.902 20 10 GHCDMP Cc1ccc(C)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1O ZINC001140181993 1026955177 /nfs/dbraw/zinc/95/51/77/1026955177.db2.gz ZPLGNVQLQKOOKL-UHFFFAOYSA-N 2 1 386.561 3.938 20 10 GHCDMP Cc1ccc(C)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1O ZINC001140181993 1026955182 /nfs/dbraw/zinc/95/51/82/1026955182.db2.gz ZPLGNVQLQKOOKL-UHFFFAOYSA-N 2 1 386.561 3.938 20 10 GHCDMP CCOc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1O ZINC001203609819 1027475509 /nfs/dbraw/zinc/47/55/09/1027475509.db2.gz LKTKBJIGEJERPT-UHFFFAOYSA-N 2 1 381.520 3.674 20 10 GHCDMP Oc1ccc(Cl)cc1C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001203659666 1027516999 /nfs/dbraw/zinc/51/69/99/1027516999.db2.gz XFQLFNVVLQTBMM-UHFFFAOYSA-N 2 1 386.923 3.913 20 10 GHCDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218247563 1030850226 /nfs/dbraw/zinc/85/02/26/1030850226.db2.gz QKHAECYNGONRGB-QHCPKHFHSA-N 2 1 379.548 3.776 20 10 GHCDMP Cc1cccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1O ZINC001231593669 1034749123 /nfs/dbraw/zinc/74/91/23/1034749123.db2.gz YKCLAWUCANZXMG-UPVQGACJSA-N 2 1 384.564 3.661 20 10 GHCDMP Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c1O ZINC001231593669 1034749135 /nfs/dbraw/zinc/74/91/35/1034749135.db2.gz YKCLAWUCANZXMG-UPVQGACJSA-N 2 1 384.564 3.661 20 10 GHCDMP Cc1cccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c1O ZINC001231593669 1034749142 /nfs/dbraw/zinc/74/91/42/1034749142.db2.gz YKCLAWUCANZXMG-UPVQGACJSA-N 2 1 384.564 3.661 20 10 GHCDMP C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)C1 ZINC001208613940 1034954890 /nfs/dbraw/zinc/95/48/90/1034954890.db2.gz IIOCPAALBSJVFD-QFIPXVFZSA-N 2 1 379.548 3.729 20 10 GHCDMP C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)C1 ZINC001208613940 1034954892 /nfs/dbraw/zinc/95/48/92/1034954892.db2.gz IIOCPAALBSJVFD-QFIPXVFZSA-N 2 1 379.548 3.729 20 10 GHCDMP CC1(C)C[C@H]([NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)CC[NH2+]1 ZINC001247003600 1037826686 /nfs/dbraw/zinc/82/66/86/1037826686.db2.gz NZVNTRVQFOEODQ-JOCHJYFZSA-N 2 1 379.548 3.918 20 10 GHCDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233453131 1039338252 /nfs/dbraw/zinc/33/82/52/1039338252.db2.gz WMFQJULFAIUHTM-ICSRJNTNSA-N 2 1 398.469 3.591 20 10 GHCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233453131 1039338272 /nfs/dbraw/zinc/33/82/72/1039338272.db2.gz WMFQJULFAIUHTM-ICSRJNTNSA-N 2 1 398.469 3.591 20 10 GHCDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233453131 1039338290 /nfs/dbraw/zinc/33/82/90/1039338290.db2.gz WMFQJULFAIUHTM-ICSRJNTNSA-N 2 1 398.469 3.591 20 10 GHCDMP Oc1ccc2cc(Br)ccc2c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234999630 1040494777 /nfs/dbraw/zinc/49/47/77/1040494777.db2.gz NICLFJNTNMGUPN-LJQANCHMSA-N 2 1 375.310 3.883 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[N@@H+](Cc4ccccc4)CC3)cc2)CC1 ZINC001255388412 1040976152 /nfs/dbraw/zinc/97/61/52/1040976152.db2.gz ZFNYXRFKVFIBRM-DEOSSOPVSA-N 3 1 392.591 3.583 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CC(C)(C)C)[C@H]3CC[C@H]([NH3+])CC3)c(F)c2)CC1 ZINC001236780901 1041888627 /nfs/dbraw/zinc/88/86/27/1041888627.db2.gz WPSAUOPPDCUFFM-MXVIHJGJSA-N 3 1 390.591 3.696 20 10 GHCDMP CN1CCN(c2ccc(C[N@H+](CC(C)(C)C)[C@H]3CC[C@H]([NH3+])CC3)c(F)c2)CC1 ZINC001236780901 1041888630 /nfs/dbraw/zinc/88/86/30/1041888630.db2.gz WPSAUOPPDCUFFM-MXVIHJGJSA-N 2 1 390.591 3.696 20 10 GHCDMP CN1CCN(c2ccc(C[N@@H+](CC(C)(C)C)[C@H]3CC[C@H]([NH3+])CC3)c(F)c2)CC1 ZINC001236780901 1041888639 /nfs/dbraw/zinc/88/86/39/1041888639.db2.gz WPSAUOPPDCUFFM-MXVIHJGJSA-N 2 1 390.591 3.696 20 10 GHCDMP COc1cc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001236814941 1041913680 /nfs/dbraw/zinc/91/36/80/1041913680.db2.gz XTGRMPZIDINFMY-OFAXGOBFSA-N 2 1 395.547 3.837 20 10 GHCDMP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001236814941 1041913683 /nfs/dbraw/zinc/91/36/83/1041913683.db2.gz XTGRMPZIDINFMY-OFAXGOBFSA-N 2 1 395.547 3.837 20 10 GHCDMP COc1cc(C)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001236814941 1041913684 /nfs/dbraw/zinc/91/36/84/1041913684.db2.gz XTGRMPZIDINFMY-OFAXGOBFSA-N 2 1 395.547 3.837 20 10 GHCDMP COc1cc(C)c(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001236814941 1041913688 /nfs/dbraw/zinc/91/36/88/1041913688.db2.gz XTGRMPZIDINFMY-OFAXGOBFSA-N 2 1 395.547 3.837 20 10 GHCDMP COc1ccc2c(c1)C[N@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1F)CCC2 ZINC001236944752 1041966007 /nfs/dbraw/zinc/96/60/07/1041966007.db2.gz FCSAVFBYXRVAMG-UHFFFAOYSA-N 2 1 383.511 3.535 20 10 GHCDMP COC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001237411921 1042197074 /nfs/dbraw/zinc/19/70/74/1042197074.db2.gz RBOHQHHALJNRMZ-QHCPKHFHSA-N 2 1 393.531 3.610 20 10 GHCDMP Cc1cc(F)cc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1O ZINC001238062865 1042480062 /nfs/dbraw/zinc/48/00/62/1042480062.db2.gz XXJXVZOIURRHRV-UHFFFAOYSA-N 2 1 384.495 3.707 20 10 GHCDMP CN(Cc1cccs1)c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC001308657213 1050050270 /nfs/dbraw/zinc/05/02/70/1050050270.db2.gz QUSZJTWBARYZFV-UHFFFAOYSA-N 2 1 398.620 3.598 20 10 GHCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001323828482 1057020143 /nfs/dbraw/zinc/02/01/43/1057020143.db2.gz AAEXWFDEQATGKF-JRGCBEDISA-N 2 1 380.532 3.995 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCOc4c(Cl)cccc43)cc2F)CC1 ZINC001473958528 1074218413 /nfs/dbraw/zinc/21/84/13/1074218413.db2.gz FEEGDMXHDYCUAU-IBGZPJMESA-N 2 1 389.902 3.844 20 10 GHCDMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000160508816 858972584 /nfs/dbraw/zinc/97/25/84/858972584.db2.gz ZZAUSWSMEUSJHX-KRWDZBQOSA-N 2 1 375.532 3.720 20 10 GHCDMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764675484 859562575 /nfs/dbraw/zinc/56/25/75/859562575.db2.gz BEBFCTXGGYUFSC-LJQANCHMSA-N 2 1 385.527 3.835 20 10 GHCDMP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001170423059 881822497 /nfs/dbraw/zinc/82/24/97/881822497.db2.gz BGIAODBRJJFYGZ-LJQANCHMSA-N 2 1 382.504 3.696 20 10 GHCDMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)c2cccs2)CC1 ZINC000920957140 882473012 /nfs/dbraw/zinc/47/30/12/882473012.db2.gz KJJWWTBKPKIIOS-QFIPXVFZSA-N 2 1 398.620 3.817 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+](Cc3cccs3)C[C@@H]3CCCO3)cc2)CC1 ZINC000775644176 872225835 /nfs/dbraw/zinc/22/58/35/872225835.db2.gz FLYZIQGUXCTKEZ-NRFANRHFSA-N 2 1 385.577 3.681 20 10 GHCDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(Cl)cc3O)C2)ccn1 ZINC001183046064 912215717 /nfs/dbraw/zinc/21/57/17/912215717.db2.gz SRQQWUFACIZNCM-IBGZPJMESA-N 2 1 375.900 3.546 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)ccn1 ZINC001183046064 912215731 /nfs/dbraw/zinc/21/57/31/912215731.db2.gz SRQQWUFACIZNCM-IBGZPJMESA-N 2 1 375.900 3.546 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3O)C2)ccn1 ZINC001183046064 912215750 /nfs/dbraw/zinc/21/57/50/912215750.db2.gz SRQQWUFACIZNCM-IBGZPJMESA-N 2 1 375.900 3.546 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cc2)CC1 ZINC000775679187 872809726 /nfs/dbraw/zinc/80/97/26/872809726.db2.gz PYSZGCDZQZUTJG-HSZRJFAPSA-N 3 1 384.612 3.526 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cc2)CC1 ZINC000775679187 872809736 /nfs/dbraw/zinc/80/97/36/872809736.db2.gz PYSZGCDZQZUTJG-HSZRJFAPSA-N 3 1 384.612 3.526 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000775708765 873038862 /nfs/dbraw/zinc/03/88/62/873038862.db2.gz OJZAADAREQCZQB-DEOSSOPVSA-N 2 1 378.564 3.539 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC(C(F)(F)F)(C(F)(F)F)C3)cc2)CC1 ZINC000775708609 873039172 /nfs/dbraw/zinc/03/91/72/873039172.db2.gz DBIWBCOJOIJYPM-UHFFFAOYSA-N 2 1 395.391 3.755 20 10 GHCDMP Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000691450258 873312964 /nfs/dbraw/zinc/31/29/64/873312964.db2.gz KKLMXZATUMZJNB-INIZCTEOSA-N 2 1 375.310 3.766 20 10 GHCDMP C[N@H+]1CCCN(CCC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000776266483 876092464 /nfs/dbraw/zinc/09/24/64/876092464.db2.gz VZXQFIYUIJFYAH-QHCPKHFHSA-N 2 1 381.564 3.683 20 10 GHCDMP c1ccc(CN2CCc3cc(C[NH2+]C4CC[NH+]([C@@H]5CCOC5)CC4)ccc32)cc1 ZINC000850396420 876877654 /nfs/dbraw/zinc/87/76/54/876877654.db2.gz JWLYCBORHAIMIS-XMMPIXPASA-N 2 1 391.559 3.592 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc2ccccc2c1O ZINC000850509421 876981988 /nfs/dbraw/zinc/98/19/88/876981988.db2.gz PWZVIYUCXFGEST-LAUBAEHRSA-N 2 1 376.500 3.963 20 10 GHCDMP COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1O ZINC000853241012 878924170 /nfs/dbraw/zinc/92/41/70/878924170.db2.gz RRQAHCBZIRJTJQ-DZGCQCFKSA-N 2 1 397.357 3.936 20 10 GHCDMP CC[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818774 912451683 /nfs/dbraw/zinc/45/16/83/912451683.db2.gz OSFATONEGMVZDF-DEOSSOPVSA-N 2 1 393.575 3.867 20 10 GHCDMP CC[NH+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818774 912451696 /nfs/dbraw/zinc/45/16/96/912451696.db2.gz OSFATONEGMVZDF-DEOSSOPVSA-N 2 1 393.575 3.867 20 10 GHCDMP CC[NH+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818774 912451705 /nfs/dbraw/zinc/45/17/05/912451705.db2.gz OSFATONEGMVZDF-DEOSSOPVSA-N 2 1 393.575 3.867 20 10 GHCDMP c1[nH+]c2cc(NCc3ccc(OC4COC4)cc3)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001168464257 881005029 /nfs/dbraw/zinc/00/50/29/881005029.db2.gz YMTIYZMWHSYFSY-LJQANCHMSA-N 2 1 392.503 3.741 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC000795722620 912712816 /nfs/dbraw/zinc/71/28/16/912712816.db2.gz WTLGWOHZRWPTNU-QHCPKHFHSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC000795722620 912712824 /nfs/dbraw/zinc/71/28/24/912712824.db2.gz WTLGWOHZRWPTNU-QHCPKHFHSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC000795722620 912712835 /nfs/dbraw/zinc/71/28/35/912712835.db2.gz WTLGWOHZRWPTNU-QHCPKHFHSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OC ZINC000795722620 912712839 /nfs/dbraw/zinc/71/28/39/912712839.db2.gz WTLGWOHZRWPTNU-QHCPKHFHSA-N 2 1 382.504 3.507 20 10 GHCDMP CCC[NH+]1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000163391297 884717472 /nfs/dbraw/zinc/71/74/72/884717472.db2.gz NDNWJYZPTBEPHY-UHFFFAOYSA-N 2 1 385.474 3.506 20 10 GHCDMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@H]1C(F)(F)F ZINC000863645508 887259695 /nfs/dbraw/zinc/25/96/95/887259695.db2.gz IZPCJIKDEUWQOK-IEBWSBKVSA-N 2 1 394.437 3.930 20 10 GHCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@H]1C(F)(F)F ZINC000863645508 887259710 /nfs/dbraw/zinc/25/97/10/887259710.db2.gz IZPCJIKDEUWQOK-IEBWSBKVSA-N 2 1 394.437 3.930 20 10 GHCDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)CC2)CC1 ZINC000817414406 895590779 /nfs/dbraw/zinc/59/07/79/895590779.db2.gz YQYKCIBITQMBLI-UHFFFAOYSA-N 2 1 384.612 3.669 20 10 GHCDMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817984493 895993955 /nfs/dbraw/zinc/99/39/55/895993955.db2.gz YVZFBBWEQRJYIK-INVBSJAUSA-N 2 1 384.612 3.934 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000774958665 914211714 /nfs/dbraw/zinc/21/17/14/914211714.db2.gz AQYUZJUBWKPYCM-INIZCTEOSA-N 2 1 399.491 3.831 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccc1[N+](=O)[O-] ZINC000774958665 914211728 /nfs/dbraw/zinc/21/17/28/914211728.db2.gz AQYUZJUBWKPYCM-INIZCTEOSA-N 2 1 399.491 3.831 20 10 GHCDMP CN(Cc1cccs1)c1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000823442246 899028482 /nfs/dbraw/zinc/02/84/82/899028482.db2.gz FOAFPQHMYNCCAG-QFIPXVFZSA-N 2 1 398.620 3.596 20 10 GHCDMP CN(Cc1cccs1)c1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000823442246 899028498 /nfs/dbraw/zinc/02/84/98/899028498.db2.gz FOAFPQHMYNCCAG-QFIPXVFZSA-N 2 1 398.620 3.596 20 10 GHCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(OCc2ccccc2)cc1O ZINC000753549557 929408952 /nfs/dbraw/zinc/40/89/52/929408952.db2.gz SLHIPNBSFQTJDD-BKULYWANSA-N 2 1 396.531 3.655 20 10 GHCDMP COc1cc(C[N@H+]2CCCC3(CC[NH+](Cc4ccccc4)CC3)C2)cc(O)c1O ZINC001204349720 1032786544 /nfs/dbraw/zinc/78/65/44/1032786544.db2.gz WBYKJAHCUVFQAI-UHFFFAOYSA-N 2 1 396.531 3.985 20 10 GHCDMP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140664724 1022209004 /nfs/dbraw/zinc/20/90/04/1022209004.db2.gz QGJRKUSFPWVSAI-PMACEKPBSA-N 2 1 375.532 3.501 20 10 GHCDMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140664724 1022209009 /nfs/dbraw/zinc/20/90/09/1022209009.db2.gz QGJRKUSFPWVSAI-PMACEKPBSA-N 2 1 375.532 3.501 20 10 GHCDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140664724 1022209025 /nfs/dbraw/zinc/20/90/25/1022209025.db2.gz QGJRKUSFPWVSAI-PMACEKPBSA-N 2 1 375.532 3.501 20 10 GHCDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140664724 1022209036 /nfs/dbraw/zinc/20/90/36/1022209036.db2.gz QGJRKUSFPWVSAI-PMACEKPBSA-N 2 1 375.532 3.501 20 10 GHCDMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c2c1c(F)ccc2O ZINC000756340538 1023596886 /nfs/dbraw/zinc/59/68/86/1023596886.db2.gz FUDLXFYRYQDXSM-PVAVHDDUSA-N 2 1 389.540 3.719 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](Sc4ccc(F)cc4)C3)cc2)CC1 ZINC001139411034 1026281741 /nfs/dbraw/zinc/28/17/41/1026281741.db2.gz RFOAGFDITDPMQF-QFIPXVFZSA-N 2 1 385.552 3.944 20 10 GHCDMP COC(=O)c1cccc([C@@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001139411499 1026283501 /nfs/dbraw/zinc/28/35/01/1026283501.db2.gz OXQPKKZIUHLRDA-QHCPKHFHSA-N 2 1 393.531 3.562 20 10 GHCDMP C[N@@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140054280 1026833656 /nfs/dbraw/zinc/83/36/56/1026833656.db2.gz OJAOSBRDIOFCCU-GOSISDBHSA-N 2 1 390.524 3.848 20 10 GHCDMP CCOc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccccc2)CCO3)c1O ZINC001203610172 1027475672 /nfs/dbraw/zinc/47/56/72/1027475672.db2.gz XTMHAISYLZRUFC-UHFFFAOYSA-N 2 1 396.531 3.658 20 10 GHCDMP Oc1c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)cc2c3c1CCCN3CCC2 ZINC001222159964 1029982317 /nfs/dbraw/zinc/98/23/17/1029982317.db2.gz AVGDSSUDIFCRER-DEOSSOPVSA-N 2 1 383.580 3.837 20 10 GHCDMP COc1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208927667 1035092695 /nfs/dbraw/zinc/09/26/95/1035092695.db2.gz BRLRYSKRKYORMH-JOCHJYFZSA-N 2 1 379.548 3.729 20 10 GHCDMP COc1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC001208927667 1035092704 /nfs/dbraw/zinc/09/27/04/1035092704.db2.gz BRLRYSKRKYORMH-JOCHJYFZSA-N 2 1 379.548 3.729 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccccc3)C3CCC([NH3+])CC3)cc2)CC1 ZINC001236228308 1041634120 /nfs/dbraw/zinc/63/41/20/1041634120.db2.gz UCVUXCFJOQBVPG-UHFFFAOYSA-N 3 1 392.591 3.711 20 10 GHCDMP CN1CCN(c2ccc(C[N@H+](Cc3ccccc3)C3CCC([NH3+])CC3)cc2)CC1 ZINC001236228308 1041634124 /nfs/dbraw/zinc/63/41/24/1041634124.db2.gz UCVUXCFJOQBVPG-UHFFFAOYSA-N 2 1 392.591 3.711 20 10 GHCDMP CN1CCN(c2ccc(C[N@@H+](Cc3ccccc3)C3CCC([NH3+])CC3)cc2)CC1 ZINC001236228308 1041634136 /nfs/dbraw/zinc/63/41/36/1041634136.db2.gz UCVUXCFJOQBVPG-UHFFFAOYSA-N 2 1 392.591 3.711 20 10 GHCDMP COc1cc(O)c(C[N@@H+](Cc2ccc(C)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1OC ZINC001236726577 1041859288 /nfs/dbraw/zinc/85/92/88/1041859288.db2.gz OZSDAWSATRWWMX-MXVIHJGJSA-N 2 1 384.520 3.990 20 10 GHCDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc3ccccc3cc1O)C2 ZINC001236832525 1041921657 /nfs/dbraw/zinc/92/16/57/1041921657.db2.gz OYQPBNZFAVRQEO-VWNXMTODSA-N 2 1 380.532 3.726 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc3ccccc3cc1O)C2 ZINC001236832525 1041921660 /nfs/dbraw/zinc/92/16/60/1041921660.db2.gz OYQPBNZFAVRQEO-VWNXMTODSA-N 2 1 380.532 3.726 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc3ccccc3cc1O)C2 ZINC001236832525 1041921661 /nfs/dbraw/zinc/92/16/61/1041921661.db2.gz OYQPBNZFAVRQEO-VWNXMTODSA-N 2 1 380.532 3.726 20 10 GHCDMP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cc(C(F)(F)F)ccc3O)C2)C1 ZINC001237136546 1042058417 /nfs/dbraw/zinc/05/84/17/1042058417.db2.gz HALXAAWNZYYDLP-UYAOXDASSA-N 2 1 398.469 3.591 20 10 GHCDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3cc(C(F)(F)F)ccc3O)C2)C1 ZINC001237136546 1042058422 /nfs/dbraw/zinc/05/84/22/1042058422.db2.gz HALXAAWNZYYDLP-UYAOXDASSA-N 2 1 398.469 3.591 20 10 GHCDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3cc(C(F)(F)F)ccc3O)C2)C1 ZINC001237136546 1042058425 /nfs/dbraw/zinc/05/84/25/1042058425.db2.gz HALXAAWNZYYDLP-UYAOXDASSA-N 2 1 398.469 3.591 20 10 GHCDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3cc(C(F)(F)F)ccc3O)C2)C1 ZINC001237136546 1042058431 /nfs/dbraw/zinc/05/84/31/1042058431.db2.gz HALXAAWNZYYDLP-UYAOXDASSA-N 2 1 398.469 3.591 20 10 GHCDMP Cc1ncsc1C[N@H+]1CC[C@H]2C[NH+](Cc3cccc(F)c3O)C[C@H]2CC1 ZINC001279525435 1047832883 /nfs/dbraw/zinc/83/28/83/1047832883.db2.gz QRSRIXYYRXNURO-IYBDPMFKSA-N 2 1 375.513 3.640 20 10 GHCDMP Cc1ncsc1C[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(F)c3O)C[C@H]2CC1 ZINC001279525435 1047832886 /nfs/dbraw/zinc/83/28/86/1047832886.db2.gz QRSRIXYYRXNURO-IYBDPMFKSA-N 2 1 375.513 3.640 20 10 GHCDMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(F)c3O)C[C@H]2CC1 ZINC001279525435 1047832891 /nfs/dbraw/zinc/83/28/91/1047832891.db2.gz QRSRIXYYRXNURO-IYBDPMFKSA-N 2 1 375.513 3.640 20 10 GHCDMP Cc1ncsc1C[NH+]1CC[C@H]2C[N@H+](Cc3cccc(F)c3O)C[C@H]2CC1 ZINC001279525435 1047832898 /nfs/dbraw/zinc/83/28/98/1047832898.db2.gz QRSRIXYYRXNURO-IYBDPMFKSA-N 2 1 375.513 3.640 20 10 GHCDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001318625729 1054757648 /nfs/dbraw/zinc/75/76/48/1054757648.db2.gz VCXGJBXVDFHZMA-UHFFFAOYSA-N 2 1 398.570 3.708 20 10 GHCDMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001318625729 1054757662 /nfs/dbraw/zinc/75/76/62/1054757662.db2.gz VCXGJBXVDFHZMA-UHFFFAOYSA-N 3 1 398.570 3.708 20 10 GHCDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC001318625729 1054757677 /nfs/dbraw/zinc/75/76/77/1054757677.db2.gz VCXGJBXVDFHZMA-UHFFFAOYSA-N 3 1 398.570 3.708 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(c4ccc(O)cc4)CC3)cc2F)CC1 ZINC001320476324 1055824223 /nfs/dbraw/zinc/82/42/23/1055824223.db2.gz XNTFRLJSCKHBGT-UHFFFAOYSA-N 2 1 383.511 3.663 20 10 GHCDMP Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)C2)cc1 ZINC001322089271 1056512218 /nfs/dbraw/zinc/51/22/18/1056512218.db2.gz MEJOJCNESVGWFT-OAQYLSRUSA-N 2 1 396.554 3.645 20 10 GHCDMP CO[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccc(Cl)cc1 ZINC001322090040 1056513380 /nfs/dbraw/zinc/51/33/80/1056513380.db2.gz SLXOFQDALAWMPS-NRFANRHFSA-N 2 1 391.918 3.708 20 10 GHCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC001474020749 1074238517 /nfs/dbraw/zinc/23/85/17/1074238517.db2.gz PVQWZRNSDXNUBJ-VWNXMTODSA-N 2 1 381.564 3.505 20 10 GHCDMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC001474020749 1074238523 /nfs/dbraw/zinc/23/85/23/1074238523.db2.gz PVQWZRNSDXNUBJ-VWNXMTODSA-N 2 1 381.564 3.505 20 10 GHCDMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(O)c1OC ZINC001474386868 1074379269 /nfs/dbraw/zinc/37/92/69/1074379269.db2.gz RQETUUGHMSWQNE-PXNSSMCTSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)c(O)c1OC ZINC001474386868 1074379276 /nfs/dbraw/zinc/37/92/76/1074379276.db2.gz RQETUUGHMSWQNE-PXNSSMCTSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(O)c1OC ZINC001474386868 1074379284 /nfs/dbraw/zinc/37/92/84/1074379284.db2.gz RQETUUGHMSWQNE-PXNSSMCTSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c(O)c1OC ZINC001474386868 1074379288 /nfs/dbraw/zinc/37/92/88/1074379288.db2.gz RQETUUGHMSWQNE-PXNSSMCTSA-N 2 1 384.520 3.894 20 10 GHCDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC001167426752 839929887 /nfs/dbraw/zinc/92/98/87/839929887.db2.gz KVQXWIMPHAJTTG-HXUWFJFHSA-N 2 1 393.579 3.820 20 10 GHCDMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000760897556 856395678 /nfs/dbraw/zinc/39/56/78/856395678.db2.gz NIDDZFHVRFGQEG-KRWDZBQOSA-N 2 1 379.976 3.949 20 10 GHCDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(N(C)C)c(C)c3)C2)ccn1 ZINC000856585007 881558365 /nfs/dbraw/zinc/55/83/65/881558365.db2.gz XESCKJZCQVNELJ-JOCHJYFZSA-N 2 1 382.552 3.561 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)ccn1 ZINC000856585007 881558375 /nfs/dbraw/zinc/55/83/75/881558375.db2.gz XESCKJZCQVNELJ-JOCHJYFZSA-N 2 1 382.552 3.561 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)ccn1 ZINC000856585007 881558387 /nfs/dbraw/zinc/55/83/87/881558387.db2.gz XESCKJZCQVNELJ-JOCHJYFZSA-N 2 1 382.552 3.561 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCOc4cc(F)ccc43)cc2F)CC1 ZINC001201740836 875837145 /nfs/dbraw/zinc/83/71/45/875837145.db2.gz AVKTVOQLPZYMOI-HXUWFJFHSA-N 2 1 387.474 3.720 20 10 GHCDMP C[N@H+]1CCCN(CCC[NH2+][C@H](CCc2ccccc2)c2ccccc2O)CC1 ZINC000776266481 876094749 /nfs/dbraw/zinc/09/47/49/876094749.db2.gz VZXQFIYUIJFYAH-HSZRJFAPSA-N 2 1 381.564 3.683 20 10 GHCDMP CN(Cc1cccs1)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000850396196 876877416 /nfs/dbraw/zinc/87/74/16/876877416.db2.gz HULIAZLQLKXLEM-NRFANRHFSA-N 2 1 385.577 3.727 20 10 GHCDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850405709 876887061 /nfs/dbraw/zinc/88/70/61/876887061.db2.gz AFBWJUXTULGAAX-UHFFFAOYSA-N 2 1 395.591 3.896 20 10 GHCDMP Oc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1Cl ZINC000815133503 893508203 /nfs/dbraw/zinc/50/82/03/893508203.db2.gz LGRODRHERZLORI-UHFFFAOYSA-N 2 1 385.939 3.867 20 10 GHCDMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817983827 895991394 /nfs/dbraw/zinc/99/13/94/895991394.db2.gz RJTQRLQDQDQLPY-PELRDEGISA-N 2 1 388.575 3.683 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000774962545 914226458 /nfs/dbraw/zinc/22/64/58/914226458.db2.gz MKJUUXDOLPQNEW-MRXNPFEDSA-N 2 1 399.491 3.973 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)ccc1[N+](=O)[O-] ZINC000774962545 914226473 /nfs/dbraw/zinc/22/64/73/914226473.db2.gz MKJUUXDOLPQNEW-MRXNPFEDSA-N 2 1 399.491 3.973 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000844909392 901567755 /nfs/dbraw/zinc/56/77/55/901567755.db2.gz BCWQBWLRFYROOQ-LZQZEXGQSA-N 2 1 385.474 3.632 20 10 GHCDMP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000248447522 912107214 /nfs/dbraw/zinc/10/72/14/912107214.db2.gz NKKXNBMIMQHOAM-DVECYGJZSA-N 2 1 381.564 3.950 20 10 GHCDMP COC1CCN(c2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2)CC1 ZINC000294977641 917077499 /nfs/dbraw/zinc/07/74/99/917077499.db2.gz OTZUUUKBIBIVOG-GBXCKJPGSA-N 2 1 383.580 3.751 20 10 GHCDMP COC1CCN(c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2)CC1 ZINC000294977641 917077508 /nfs/dbraw/zinc/07/75/08/917077508.db2.gz OTZUUUKBIBIVOG-GBXCKJPGSA-N 2 1 383.580 3.751 20 10 GHCDMP COC1CCN(c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2)CC1 ZINC000294977641 917077517 /nfs/dbraw/zinc/07/75/17/917077517.db2.gz OTZUUUKBIBIVOG-GBXCKJPGSA-N 2 1 383.580 3.751 20 10 GHCDMP COC1CCN(c2ccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2)CC1 ZINC000294977655 917077680 /nfs/dbraw/zinc/07/76/80/917077680.db2.gz OTZUUUKBIBIVOG-RDPSFJRHSA-N 2 1 383.580 3.751 20 10 GHCDMP COC1CCN(c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2)CC1 ZINC000294977655 917077684 /nfs/dbraw/zinc/07/76/84/917077684.db2.gz OTZUUUKBIBIVOG-RDPSFJRHSA-N 2 1 383.580 3.751 20 10 GHCDMP COC1CCN(c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2)CC1 ZINC000294977655 917077690 /nfs/dbraw/zinc/07/76/90/917077690.db2.gz OTZUUUKBIBIVOG-RDPSFJRHSA-N 2 1 383.580 3.751 20 10 GHCDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2c1c(F)ccc2O ZINC000756434738 1023647806 /nfs/dbraw/zinc/64/78/06/1023647806.db2.gz OZLTWCLBHSCIKH-OXJNMPFZSA-N 2 1 383.511 3.617 20 10 GHCDMP COc1cc(C[N@H+](C)Cc2ncccc2C(F)(F)F)cc(C[NH+](C)C)c1O ZINC001139256132 1026106462 /nfs/dbraw/zinc/10/64/62/1026106462.db2.gz UVCCYPXFCULSNN-UHFFFAOYSA-N 2 1 383.414 3.508 20 10 GHCDMP COc1cc(C[N@@H+](C)Cc2ncccc2C(F)(F)F)cc(C[NH+](C)C)c1O ZINC001139256132 1026106465 /nfs/dbraw/zinc/10/64/65/1026106465.db2.gz UVCCYPXFCULSNN-UHFFFAOYSA-N 2 1 383.414 3.508 20 10 GHCDMP CCc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001461174394 1069426343 /nfs/dbraw/zinc/42/63/43/1069426343.db2.gz RBJGSFUOWRXWSF-OAQYLSRUSA-N 2 1 383.511 3.753 20 10 GHCDMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000843050869 1029786812 /nfs/dbraw/zinc/78/68/12/1029786812.db2.gz AKNIXZSGGLVOGQ-RDJZCZTQSA-N 2 1 380.374 3.999 20 10 GHCDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000843050869 1029786819 /nfs/dbraw/zinc/78/68/19/1029786819.db2.gz AKNIXZSGGLVOGQ-RDJZCZTQSA-N 2 1 380.374 3.999 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)cc2)CC1 ZINC001222167682 1029985807 /nfs/dbraw/zinc/98/58/07/1029985807.db2.gz PBWZGWCXARLBII-DEOSSOPVSA-N 3 1 384.612 3.574 20 10 GHCDMP CN(Cc1cccs1)c1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000843431846 1030004054 /nfs/dbraw/zinc/00/40/54/1030004054.db2.gz KJLKZJKDNCFYQE-UHFFFAOYSA-N 2 1 385.577 3.681 20 10 GHCDMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc2ccccc2c1O ZINC001205741325 1033554805 /nfs/dbraw/zinc/55/48/05/1033554805.db2.gz ZKPRGQVQWLVXLE-UHFFFAOYSA-N 2 1 389.543 3.795 20 10 GHCDMP COc1cc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)c(O)cc1O ZINC001231632785 1034793162 /nfs/dbraw/zinc/79/31/62/1034793162.db2.gz DCIQQNWGULBLRN-NRFANRHFSA-N 2 1 386.492 3.576 20 10 GHCDMP Cc1cc(C)c(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c(O)c1 ZINC001231843654 1034937909 /nfs/dbraw/zinc/93/79/09/1034937909.db2.gz CSAZUYYIEOHVHB-LJQANCHMSA-N 2 1 384.520 3.858 20 10 GHCDMP Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[NH+]3CC3CC3)C2)c(O)c1 ZINC001231844925 1034938287 /nfs/dbraw/zinc/93/82/87/1034938287.db2.gz RSEDBLXHVQXDGR-GIWBLDEGSA-N 2 1 394.563 3.581 20 10 GHCDMP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3CC3CC3)C2)c(O)c1 ZINC001231844925 1034938290 /nfs/dbraw/zinc/93/82/90/1034938290.db2.gz RSEDBLXHVQXDGR-GIWBLDEGSA-N 2 1 394.563 3.581 20 10 GHCDMP Cc1cc(C)c(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3CC3CC3)C2)c(O)c1 ZINC001231844925 1034938291 /nfs/dbraw/zinc/93/82/91/1034938291.db2.gz RSEDBLXHVQXDGR-GIWBLDEGSA-N 2 1 394.563 3.581 20 10 GHCDMP Cc1cc(C)c(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c(O)c1 ZINC001231844218 1034938868 /nfs/dbraw/zinc/93/88/68/1034938868.db2.gz JGNNENWZQLAHAA-DHLKQENFSA-N 2 1 398.591 3.970 20 10 GHCDMP Cc1cc(C)c(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c(O)c1 ZINC001231844218 1034938873 /nfs/dbraw/zinc/93/88/73/1034938873.db2.gz JGNNENWZQLAHAA-DHLKQENFSA-N 2 1 398.591 3.970 20 10 GHCDMP Cc1cc(C)c(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c(O)c1 ZINC001231844218 1034938875 /nfs/dbraw/zinc/93/88/75/1034938875.db2.gz JGNNENWZQLAHAA-DHLKQENFSA-N 2 1 398.591 3.970 20 10 GHCDMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231868895 1034954885 /nfs/dbraw/zinc/95/48/85/1034954885.db2.gz YUXXJIJLTPZNLX-NQIIRXRSSA-N 2 1 378.944 3.534 20 10 GHCDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231868895 1034954891 /nfs/dbraw/zinc/95/48/91/1034954891.db2.gz YUXXJIJLTPZNLX-NQIIRXRSSA-N 2 1 378.944 3.534 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231868895 1034954894 /nfs/dbraw/zinc/95/48/94/1034954894.db2.gz YUXXJIJLTPZNLX-NQIIRXRSSA-N 2 1 378.944 3.534 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231868895 1034954903 /nfs/dbraw/zinc/95/49/03/1034954903.db2.gz YUXXJIJLTPZNLX-NQIIRXRSSA-N 2 1 378.944 3.534 20 10 GHCDMP CC(C)(C)[C@H]1C[C@@H]([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246994225 1037818138 /nfs/dbraw/zinc/81/81/38/1037818138.db2.gz JJANGGIPOHPDJD-FUHWJXTLSA-N 2 1 385.474 3.874 20 10 GHCDMP C[C@@H]1C[C@@H]([NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)CC[NH2+]1 ZINC001247006953 1037832256 /nfs/dbraw/zinc/83/22/56/1037832256.db2.gz VXQPFYHZZMQSHC-XLIONFOSSA-N 2 1 376.504 3.757 20 10 GHCDMP COc1ccc2ccc(O)c(C[NH+]3CCC([N@H+](C)C4CCOCC4)CC3)c2c1 ZINC001234561811 1040129962 /nfs/dbraw/zinc/12/99/62/1040129962.db2.gz BMKKPWRIBKTSLD-UHFFFAOYSA-N 2 1 384.520 3.629 20 10 GHCDMP COc1ccc2ccc(O)c(C[NH+]3CCC([N@@H+](C)C4CCOCC4)CC3)c2c1 ZINC001234561811 1040129969 /nfs/dbraw/zinc/12/99/69/1040129969.db2.gz BMKKPWRIBKTSLD-UHFFFAOYSA-N 2 1 384.520 3.629 20 10 GHCDMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(Cl)cc3O)C2)ccn1 ZINC001462456272 1070266128 /nfs/dbraw/zinc/26/61/28/1070266128.db2.gz ACYAHAANLUIVQF-FQEVSTJZSA-N 2 1 389.927 3.934 20 10 GHCDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3O)C2)ccn1 ZINC001462456272 1070266142 /nfs/dbraw/zinc/26/61/42/1070266142.db2.gz ACYAHAANLUIVQF-FQEVSTJZSA-N 2 1 389.927 3.934 20 10 GHCDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3O)C2)ccn1 ZINC001462456272 1070266156 /nfs/dbraw/zinc/26/61/56/1070266156.db2.gz ACYAHAANLUIVQF-FQEVSTJZSA-N 2 1 389.927 3.934 20 10 GHCDMP COc1c(O)c(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC001462468432 1070276650 /nfs/dbraw/zinc/27/66/50/1070276650.db2.gz DVIBSSNDMALHON-UHFFFAOYSA-N 2 1 399.491 3.701 20 10 GHCDMP COc1cc(O)c(C[N@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1Cl ZINC001236406639 1041703921 /nfs/dbraw/zinc/70/39/21/1041703921.db2.gz CKENGBSHNISEAY-UHFFFAOYSA-N 2 1 378.875 3.948 20 10 GHCDMP COc1cc(O)c(C[N@@H+](Cc2cccc(F)c2)C2CC[NH2+]CC2)cc1Cl ZINC001236406639 1041703925 /nfs/dbraw/zinc/70/39/25/1041703925.db2.gz CKENGBSHNISEAY-UHFFFAOYSA-N 2 1 378.875 3.948 20 10 GHCDMP CCOCC[N@@H+](Cc1cc(OCc2ccccc2)ccc1O)C1CC[NH2+]CC1 ZINC001236462180 1041724181 /nfs/dbraw/zinc/72/41/81/1041724181.db2.gz QHZXBMLVBVMSFH-UHFFFAOYSA-N 2 1 384.520 3.562 20 10 GHCDMP COc1cc(O)c(C[N@@H+](Cc2ccccc2C)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236556421 1041761329 /nfs/dbraw/zinc/76/13/29/1041761329.db2.gz CARVMEJHWHAZEB-WGSAOQKQSA-N 2 1 384.520 3.990 20 10 GHCDMP CN1CCOc2cc(C[N@@H+](Cc3ccc(F)cc3)[C@H]3CC[C@H]([NH3+])CC3)ccc21 ZINC001236741517 1041868355 /nfs/dbraw/zinc/86/83/55/1041868355.db2.gz HFPQKSARAWSWMH-MEMLXQNLSA-N 2 1 383.511 3.926 20 10 GHCDMP Cc1cccc(O)c1C[N@H+]1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001237488767 1042231432 /nfs/dbraw/zinc/23/14/32/1042231432.db2.gz PEAXDAFUJLUJJS-NRFANRHFSA-N 2 1 387.474 3.829 20 10 GHCDMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC001308424519 1049972777 /nfs/dbraw/zinc/97/27/77/1049972777.db2.gz KUAMDZYLQPPGKW-DEOSSOPVSA-N 2 1 393.575 3.915 20 10 GHCDMP COc1cc(Br)cc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1O ZINC000848526440 1057149003 /nfs/dbraw/zinc/14/90/03/1057149003.db2.gz XNPJSJWXNJJRMA-GFCCVEGCSA-N 2 1 383.330 3.831 20 10 GHCDMP C[NH+](C)CCOc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000768162611 873124102 /nfs/dbraw/zinc/12/41/02/873124102.db2.gz RZCACEPSAXWDLK-JOCHJYFZSA-N 2 1 384.520 3.514 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(F)ccc3Br)cc2)CC1 ZINC000771824146 875497163 /nfs/dbraw/zinc/49/71/63/875497163.db2.gz LLYCAXVWRVSFBJ-UHFFFAOYSA-N 2 1 392.316 3.630 20 10 GHCDMP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1Cn1cccn1 ZINC001201946554 875949213 /nfs/dbraw/zinc/94/92/13/875949213.db2.gz GYEQHTRNSYDTRT-QUCCMNQESA-N 2 1 382.552 3.683 20 10 GHCDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)[C@H](C)C1 ZINC000850137630 876691681 /nfs/dbraw/zinc/69/16/81/876691681.db2.gz RASMCAJQKJKAEI-UTKZUKDTSA-N 2 1 392.584 3.925 20 10 GHCDMP COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000850242321 876752357 /nfs/dbraw/zinc/75/23/57/876752357.db2.gz PDMXGZLKVCITSN-FQEVSTJZSA-N 2 1 398.547 3.555 20 10 GHCDMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@H]1C(F)(F)F ZINC000863645510 887260064 /nfs/dbraw/zinc/26/00/64/887260064.db2.gz IZPCJIKDEUWQOK-PKOBYXMFSA-N 2 1 394.437 3.930 20 10 GHCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@H]1C(F)(F)F ZINC000863645510 887260077 /nfs/dbraw/zinc/26/00/77/887260077.db2.gz IZPCJIKDEUWQOK-PKOBYXMFSA-N 2 1 394.437 3.930 20 10 GHCDMP Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809756234 887797030 /nfs/dbraw/zinc/79/70/30/887797030.db2.gz FPLFLXQDNRCGIX-JOCHJYFZSA-N 2 1 381.568 3.896 20 10 GHCDMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816566915 894948344 /nfs/dbraw/zinc/94/83/44/894948344.db2.gz LFUNPZXVCRJQQE-QFIPXVFZSA-N 2 1 376.500 3.792 20 10 GHCDMP COc1ccc(N2CC[C@H](C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC000818219813 896083600 /nfs/dbraw/zinc/08/36/00/896083600.db2.gz DLIKLCVYAXPPNY-JOCHJYFZSA-N 2 1 393.575 3.818 20 10 GHCDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000844912063 901520057 /nfs/dbraw/zinc/52/00/57/901520057.db2.gz REVSVIUDZRAGFQ-KIFXHHALSA-N 2 1 396.531 3.832 20 10 GHCDMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccccc1O ZINC000183488007 907398922 /nfs/dbraw/zinc/39/89/22/907398922.db2.gz QRLJVZMEEUUOMY-GOSISDBHSA-N 2 1 384.520 3.733 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000757997517 929883423 /nfs/dbraw/zinc/88/34/23/929883423.db2.gz OPGMURCKENOYQK-RPWUZVMVSA-N 2 1 397.538 3.930 20 10 GHCDMP C[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798498662 932673760 /nfs/dbraw/zinc/67/37/60/932673760.db2.gz WTBOVNNXGKKEFX-DEOSSOPVSA-N 2 1 397.538 3.664 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](c4nc(C(C)C)no4)C3)cc2)CC1 ZINC001140305537 1021359662 /nfs/dbraw/zinc/35/96/62/1021359662.db2.gz BFGOPFFRGFYQDH-FQEVSTJZSA-N 2 1 397.567 3.715 20 10 GHCDMP CN1CCOc2cc(C[N@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)ccc21 ZINC001141146277 1023967205 /nfs/dbraw/zinc/96/72/05/1023967205.db2.gz QLLLWFMCLQKDGS-XZOQPEGZSA-N 2 1 391.559 3.859 20 10 GHCDMP CN1CCOc2cc(C[NH+]3CC[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)ccc21 ZINC001141146277 1023967213 /nfs/dbraw/zinc/96/72/13/1023967213.db2.gz QLLLWFMCLQKDGS-XZOQPEGZSA-N 2 1 391.559 3.859 20 10 GHCDMP CN1CCOc2cc(C[NH+]3CC[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)ccc21 ZINC001141146277 1023967220 /nfs/dbraw/zinc/96/72/20/1023967220.db2.gz QLLLWFMCLQKDGS-XZOQPEGZSA-N 2 1 391.559 3.859 20 10 GHCDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001139412002 1026283202 /nfs/dbraw/zinc/28/32/02/1026283202.db2.gz AXNXCNOKFPVBBO-RUZDIDTESA-N 2 1 392.591 3.535 20 10 GHCDMP CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001139412002 1026283216 /nfs/dbraw/zinc/28/32/16/1026283216.db2.gz AXNXCNOKFPVBBO-RUZDIDTESA-N 2 1 392.591 3.535 20 10 GHCDMP CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001139412002 1026283229 /nfs/dbraw/zinc/28/32/29/1026283229.db2.gz AXNXCNOKFPVBBO-RUZDIDTESA-N 2 1 392.591 3.535 20 10 GHCDMP CC(C)(C)[C@H]1C[C@H]([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246994232 1037818369 /nfs/dbraw/zinc/81/83/69/1037818369.db2.gz JJANGGIPOHPDJD-SJLPKXTDSA-N 2 1 385.474 3.874 20 10 GHCDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001232838503 1038590359 /nfs/dbraw/zinc/59/03/59/1038590359.db2.gz GSHUZNSECWKTOJ-TZYHBYERSA-N 2 1 394.563 3.586 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001232838503 1038590367 /nfs/dbraw/zinc/59/03/67/1038590367.db2.gz GSHUZNSECWKTOJ-TZYHBYERSA-N 2 1 394.563 3.586 20 10 GHCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001232838503 1038590371 /nfs/dbraw/zinc/59/03/71/1038590371.db2.gz GSHUZNSECWKTOJ-TZYHBYERSA-N 2 1 394.563 3.586 20 10 GHCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001232838503 1038590378 /nfs/dbraw/zinc/59/03/78/1038590378.db2.gz GSHUZNSECWKTOJ-TZYHBYERSA-N 2 1 394.563 3.586 20 10 GHCDMP Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235231169 1040710930 /nfs/dbraw/zinc/71/09/30/1040710930.db2.gz OSFGHPYYBWLKHR-PXNSSMCTSA-N 2 1 392.421 3.555 20 10 GHCDMP Oc1ccc(OCc2ccccc2)cc1C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235231169 1040710941 /nfs/dbraw/zinc/71/09/41/1040710941.db2.gz OSFGHPYYBWLKHR-PXNSSMCTSA-N 2 1 392.421 3.555 20 10 GHCDMP c1ccc([C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccc(N4CC[NH2+]CC4)cc2)C3)cc1 ZINC001235532817 1040978828 /nfs/dbraw/zinc/97/88/28/1040978828.db2.gz OVTQSQGWWKIURR-ILBGXUMGSA-N 2 1 391.559 3.635 20 10 GHCDMP FC(F)(F)c1cccc2c1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001236086887 1041527055 /nfs/dbraw/zinc/52/70/55/1041527055.db2.gz VTACCHVTONYUGS-UHFFFAOYSA-N 2 1 375.438 3.673 20 10 GHCDMP FC(F)(F)c1cccc2c1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)CC2 ZINC001236086887 1041527065 /nfs/dbraw/zinc/52/70/65/1041527065.db2.gz VTACCHVTONYUGS-UHFFFAOYSA-N 2 1 375.438 3.673 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](CC3CCC3)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC001236540851 1041756441 /nfs/dbraw/zinc/75/64/41/1041756441.db2.gz DJASEDOPQPNYQE-HCGLCNNCSA-N 3 1 384.612 3.701 20 10 GHCDMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)c(Br)cc2O)CC1 ZINC001236749494 1041871515 /nfs/dbraw/zinc/87/15/15/1041871515.db2.gz CRLIMSQNJLQNJG-UHFFFAOYSA-N 2 1 385.346 3.860 20 10 GHCDMP COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236933557 1041964166 /nfs/dbraw/zinc/96/41/66/1041964166.db2.gz YLRJTHPMHMCSEO-GOSISDBHSA-N 2 1 383.511 3.576 20 10 GHCDMP Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)N(C)C ZINC001320617684 1055904244 /nfs/dbraw/zinc/90/42/44/1055904244.db2.gz GTXGOOUYLBKGBP-DVECYGJZSA-N 2 1 398.570 3.667 20 10 GHCDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001200820544 1056988854 /nfs/dbraw/zinc/98/88/54/1056988854.db2.gz IOFLPOCBQXBGOI-CVDCTZTESA-N 2 1 397.538 3.663 20 10 GHCDMP C[C@@H](C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H](C)CO)c1ccccc1 ZINC001324044332 1057060110 /nfs/dbraw/zinc/06/01/10/1057060110.db2.gz FYEMLZXOMHMTNC-PMACEKPBSA-N 2 1 399.554 3.564 20 10 GHCDMP C[C@@H](C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H](C)CO)c1ccccc1 ZINC001324044332 1057060115 /nfs/dbraw/zinc/06/01/15/1057060115.db2.gz FYEMLZXOMHMTNC-PMACEKPBSA-N 2 1 399.554 3.564 20 10 GHCDMP CSCc1cc(F)ccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001474043904 1074246236 /nfs/dbraw/zinc/24/62/36/1074246236.db2.gz YKBKRNOEJYVVKE-UHFFFAOYSA-N 2 1 391.531 3.869 20 10 GHCDMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000363977622 840304059 /nfs/dbraw/zinc/30/40/59/840304059.db2.gz UJRXSWIGNPQODS-UHFFFAOYSA-N 2 1 376.451 3.508 20 10 GHCDMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000765782520 854812583 /nfs/dbraw/zinc/81/25/83/854812583.db2.gz YVFTWGOWAZMVPT-NRFANRHFSA-N 2 1 386.628 3.991 20 10 GHCDMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(Cl)ccc3O)C2)ccn1 ZINC000856561832 881462256 /nfs/dbraw/zinc/46/22/56/881462256.db2.gz WKEQRBNWZOBZSC-FQEVSTJZSA-N 2 1 389.927 3.934 20 10 GHCDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)ccn1 ZINC000856561832 881462275 /nfs/dbraw/zinc/46/22/75/881462275.db2.gz WKEQRBNWZOBZSC-FQEVSTJZSA-N 2 1 389.927 3.934 20 10 GHCDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)ccn1 ZINC000856561832 881462404 /nfs/dbraw/zinc/46/24/04/881462404.db2.gz WKEQRBNWZOBZSC-FQEVSTJZSA-N 2 1 389.927 3.934 20 10 GHCDMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(Cl)ccc3O)C2)ccn1 ZINC000856561833 881468693 /nfs/dbraw/zinc/46/86/93/881468693.db2.gz WKEQRBNWZOBZSC-HXUWFJFHSA-N 2 1 389.927 3.934 20 10 GHCDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)ccn1 ZINC000856561833 881468697 /nfs/dbraw/zinc/46/86/97/881468697.db2.gz WKEQRBNWZOBZSC-HXUWFJFHSA-N 2 1 389.927 3.934 20 10 GHCDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)ccn1 ZINC000856561833 881468700 /nfs/dbraw/zinc/46/87/00/881468700.db2.gz WKEQRBNWZOBZSC-HXUWFJFHSA-N 2 1 389.927 3.934 20 10 GHCDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664748 872489109 /nfs/dbraw/zinc/48/91/09/872489109.db2.gz PJYULYDVNFDGDI-JTHBVZDNSA-N 2 1 384.612 3.525 20 10 GHCDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664748 872489115 /nfs/dbraw/zinc/48/91/15/872489115.db2.gz PJYULYDVNFDGDI-JTHBVZDNSA-N 3 1 384.612 3.525 20 10 GHCDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664748 872489123 /nfs/dbraw/zinc/48/91/23/872489123.db2.gz PJYULYDVNFDGDI-JTHBVZDNSA-N 3 1 384.612 3.525 20 10 GHCDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664748 872489128 /nfs/dbraw/zinc/48/91/28/872489128.db2.gz PJYULYDVNFDGDI-JTHBVZDNSA-N 3 1 384.612 3.525 20 10 GHCDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775664748 872489133 /nfs/dbraw/zinc/48/91/33/872489133.db2.gz PJYULYDVNFDGDI-JTHBVZDNSA-N 3 1 384.612 3.525 20 10 GHCDMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1(C)C ZINC000858100712 882847073 /nfs/dbraw/zinc/84/70/73/882847073.db2.gz XCAHYLCWNXIRAC-MRXNPFEDSA-N 2 1 385.474 3.504 20 10 GHCDMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1(C)C ZINC000858100712 882847088 /nfs/dbraw/zinc/84/70/88/882847088.db2.gz XCAHYLCWNXIRAC-MRXNPFEDSA-N 2 1 385.474 3.504 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCOc3ccc(F)c(Cl)c3)cc2F)CC1 ZINC001202475493 876447218 /nfs/dbraw/zinc/44/72/18/876447218.db2.gz XACSSVNQHZAJRU-UHFFFAOYSA-N 2 1 395.881 3.539 20 10 GHCDMP COc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC000850346086 876837499 /nfs/dbraw/zinc/83/74/99/876837499.db2.gz BYVIMBGIYKYUJY-JOCHJYFZSA-N 2 1 379.548 3.571 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)C2)cc1 ZINC000850347053 876838662 /nfs/dbraw/zinc/83/86/62/876838662.db2.gz MRPFGLPHDRFTMW-HJNYFJLDSA-N 2 1 379.548 3.917 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)C2)cc1 ZINC000850347053 876838668 /nfs/dbraw/zinc/83/86/68/876838668.db2.gz MRPFGLPHDRFTMW-HJNYFJLDSA-N 2 1 379.548 3.917 20 10 GHCDMP COc1ccc(N2CCC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC000153249799 884288249 /nfs/dbraw/zinc/28/82/49/884288249.db2.gz KDKWQXJCUJEUJA-UHFFFAOYSA-N 2 1 393.575 3.961 20 10 GHCDMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000124344025 891410408 /nfs/dbraw/zinc/41/04/08/891410408.db2.gz PXDCAAQCROZOHC-LJQANCHMSA-N 2 1 390.591 3.740 20 10 GHCDMP C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000876725945 893303025 /nfs/dbraw/zinc/30/30/25/893303025.db2.gz RBITWNOKBYMEIY-QHCPKHFHSA-N 2 1 393.575 3.602 20 10 GHCDMP C[NH+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876725945 893303042 /nfs/dbraw/zinc/30/30/42/893303042.db2.gz RBITWNOKBYMEIY-QHCPKHFHSA-N 2 1 393.575 3.602 20 10 GHCDMP C[NH+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876725945 893303062 /nfs/dbraw/zinc/30/30/62/893303062.db2.gz RBITWNOKBYMEIY-QHCPKHFHSA-N 2 1 393.575 3.602 20 10 GHCDMP C[C@@H]1C[C@H](NC2CC[NH+](Cc3ccccc3O)CC2)C[N@H+]1Cc1ccccc1 ZINC001171733102 904961816 /nfs/dbraw/zinc/96/18/16/904961816.db2.gz IIXOFNKPTUAZOX-XXBNENTESA-N 2 1 379.548 3.609 20 10 GHCDMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116478305 933582108 /nfs/dbraw/zinc/58/21/08/933582108.db2.gz DUUCQFXCRSLXTK-AOMKIAJQSA-N 2 1 389.490 3.582 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](Sc4ccncc4)C3)cc2)CC1 ZINC001140304065 1021354169 /nfs/dbraw/zinc/35/41/69/1021354169.db2.gz GYMMUPXPZPMCFL-HSZRJFAPSA-N 2 1 396.604 3.980 20 10 GHCDMP CN(C)c1ccc(/C=C/C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000835047812 1021811664 /nfs/dbraw/zinc/81/16/64/1021811664.db2.gz KQEMFSJKODWMNI-SXBBHYFQSA-N 2 1 379.548 3.512 20 10 GHCDMP Cc1c(O)ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1O ZINC001140744812 1022411459 /nfs/dbraw/zinc/41/14/59/1022411459.db2.gz MLMJNEIOLDDOHQ-OAQYLSRUSA-N 2 1 396.531 3.662 20 10 GHCDMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(C)cc4O)CC3)C2)c1 ZINC001140952267 1022980763 /nfs/dbraw/zinc/98/07/63/1022980763.db2.gz KMJUWWMJXMUHRQ-UHFFFAOYSA-N 2 1 396.531 3.576 20 10 GHCDMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4ccc(C)cc4O)CC3)C2)c1 ZINC001140952267 1022980764 /nfs/dbraw/zinc/98/07/64/1022980764.db2.gz KMJUWWMJXMUHRQ-UHFFFAOYSA-N 2 1 396.531 3.576 20 10 GHCDMP CN1CCOc2cc(C[N@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)ccc21 ZINC001141146274 1023967124 /nfs/dbraw/zinc/96/71/24/1023967124.db2.gz QLLLWFMCLQKDGS-DHIUTWEWSA-N 2 1 391.559 3.859 20 10 GHCDMP CN1CCOc2cc(C[NH+]3CC[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)ccc21 ZINC001141146274 1023967129 /nfs/dbraw/zinc/96/71/29/1023967129.db2.gz QLLLWFMCLQKDGS-DHIUTWEWSA-N 2 1 391.559 3.859 20 10 GHCDMP CN1CCOc2cc(C[NH+]3CC[C@@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)ccc21 ZINC001141146274 1023967131 /nfs/dbraw/zinc/96/71/31/1023967131.db2.gz QLLLWFMCLQKDGS-DHIUTWEWSA-N 2 1 391.559 3.859 20 10 GHCDMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001138216646 1024384897 /nfs/dbraw/zinc/38/48/97/1024384897.db2.gz FONRGKWWBPMFFI-XMMPIXPASA-N 2 1 385.596 4.000 20 10 GHCDMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001138216646 1024384916 /nfs/dbraw/zinc/38/49/16/1024384916.db2.gz FONRGKWWBPMFFI-XMMPIXPASA-N 2 1 385.596 4.000 20 10 GHCDMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001138216646 1024384934 /nfs/dbraw/zinc/38/49/34/1024384934.db2.gz FONRGKWWBPMFFI-XMMPIXPASA-N 2 1 385.596 4.000 20 10 GHCDMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001138216646 1024384958 /nfs/dbraw/zinc/38/49/58/1024384958.db2.gz FONRGKWWBPMFFI-XMMPIXPASA-N 2 1 385.596 4.000 20 10 GHCDMP COc1cc(C[N@H+]2CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139257773 1026108586 /nfs/dbraw/zinc/10/85/86/1026108586.db2.gz GKRXTSLFXYIMNK-BXKMTCNYSA-N 2 1 398.547 3.968 20 10 GHCDMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](Cc4cc(F)ccc4O)CC3)C2)cc1 ZINC001140055477 1026834782 /nfs/dbraw/zinc/83/47/82/1026834782.db2.gz GCJCYWUBAOVPOS-UHFFFAOYSA-N 2 1 384.495 3.707 20 10 GHCDMP COc1ccc(O)c(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c1 ZINC001222573711 1030205183 /nfs/dbraw/zinc/20/51/83/1030205183.db2.gz BZCQZMHFWHXXEA-NRFANRHFSA-N 2 1 396.531 3.704 20 10 GHCDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC001461919993 1069884242 /nfs/dbraw/zinc/88/42/42/1069884242.db2.gz PMGVPYLKDRNQKS-SFHVURJKSA-N 2 1 378.557 3.631 20 10 GHCDMP CCOC(=O)c1c(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)c2ccccc2n1C ZINC001233273683 1039041510 /nfs/dbraw/zinc/04/15/10/1039041510.db2.gz NETNOFORBAUGEQ-KRWDZBQOSA-N 2 1 393.487 3.712 20 10 GHCDMP CCOC(=O)c1c(CN2CC[C@H](Oc3ccncc3C)C2)c2ccccc2n1C ZINC001233273683 1039041530 /nfs/dbraw/zinc/04/15/30/1039041530.db2.gz NETNOFORBAUGEQ-KRWDZBQOSA-N 2 1 393.487 3.712 20 10 GHCDMP Oc1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@@]2(C1)C[NH2+]CC[C@@H]2F ZINC001235405641 1040917410 /nfs/dbraw/zinc/91/74/10/1040917410.db2.gz OKISUEHXBOFIPC-OALUTQOASA-N 2 1 393.300 3.831 20 10 GHCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H](c3ccc(C(F)(F)F)cc3)C1)C[NH2+]CCO2 ZINC001235918411 1041430044 /nfs/dbraw/zinc/43/00/44/1041430044.db2.gz DQVOJTLWHQPZEG-OAHLLOKOSA-N 2 1 392.421 3.883 20 10 GHCDMP COc1cccc(C[C@@H]2CCC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)c1 ZINC001236305506 1041665926 /nfs/dbraw/zinc/66/59/26/1041665926.db2.gz XZWODBICJHPZFA-QFIPXVFZSA-N 2 1 379.548 3.560 20 10 GHCDMP Cc1cc(F)cc(C[N@@H+](Cc2ccc3c(c2)OCCN3C)C2CC[NH2+]CC2)c1 ZINC001236483122 1041735188 /nfs/dbraw/zinc/73/51/88/1041735188.db2.gz KWLKIJJQJQFQFX-UHFFFAOYSA-N 2 1 383.511 3.717 20 10 GHCDMP Cc1cc(F)cc(C[N@H+](Cc2ccc3c(c2)OCCN3C)C2CC[NH2+]CC2)c1 ZINC001236483122 1041735191 /nfs/dbraw/zinc/73/51/91/1041735191.db2.gz KWLKIJJQJQFQFX-UHFFFAOYSA-N 2 1 383.511 3.717 20 10 GHCDMP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2cc4ccccc4cc2O)CC3)cn1 ZINC001236832096 1041921504 /nfs/dbraw/zinc/92/15/04/1041921504.db2.gz KBMUKNCKZGEKGV-UHFFFAOYSA-N 2 1 390.531 3.910 20 10 GHCDMP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2cc4ccccc4cc2O)CC3)cn1 ZINC001236832096 1041921505 /nfs/dbraw/zinc/92/15/05/1041921505.db2.gz KBMUKNCKZGEKGV-UHFFFAOYSA-N 2 1 390.531 3.910 20 10 GHCDMP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001237041493 1042001748 /nfs/dbraw/zinc/00/17/48/1042001748.db2.gz MFTHQAQRVFKWHZ-TZYHBYERSA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001237041493 1042001752 /nfs/dbraw/zinc/00/17/52/1042001752.db2.gz MFTHQAQRVFKWHZ-TZYHBYERSA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001237041493 1042001753 /nfs/dbraw/zinc/00/17/53/1042001753.db2.gz MFTHQAQRVFKWHZ-TZYHBYERSA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(O)c1 ZINC001237041493 1042001757 /nfs/dbraw/zinc/00/17/57/1042001757.db2.gz MFTHQAQRVFKWHZ-TZYHBYERSA-N 2 1 395.547 3.918 20 10 GHCDMP CN1CCN(c2ccc(C[N@@H+](C)Cc3ccsc3)cc2Br)CC1 ZINC001237099512 1042034684 /nfs/dbraw/zinc/03/46/84/1042034684.db2.gz OKABGKMMQFRVLY-UHFFFAOYSA-N 2 1 394.382 3.894 20 10 GHCDMP CN(Cc1ccsc1)Cc1ccc(N2CCN(C)CC2)c(Br)c1 ZINC001237099512 1042034692 /nfs/dbraw/zinc/03/46/92/1042034692.db2.gz OKABGKMMQFRVLY-UHFFFAOYSA-N 2 1 394.382 3.894 20 10 GHCDMP Cc1cc(O)c(C[N@@H+]2CCC[C@]3(CCCN(CC[NH+](C)C)C3)C2)cc1Cl ZINC001279432635 1047804470 /nfs/dbraw/zinc/80/44/70/1047804470.db2.gz HFIHLOAIFFMYRJ-NRFANRHFSA-N 2 1 379.976 3.594 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCOCc3ccc(Cl)cc3)cc2F)CC1 ZINC001308331618 1049951101 /nfs/dbraw/zinc/95/11/01/1049951101.db2.gz FWAPHPUUWUEECA-UHFFFAOYSA-N 2 1 391.918 3.537 20 10 GHCDMP Cc1ccc2c(CC[NH2+]Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)c[nH]c2c1 ZINC001321644569 1056349781 /nfs/dbraw/zinc/34/97/81/1056349781.db2.gz DABYSOFRFWSNBJ-UHFFFAOYSA-N 2 1 380.511 3.700 20 10 GHCDMP C[NH+]1CCN(c2ccc(CNc3ccc([C@@H]4CCCC[N@H+]4C)cn3)cc2)CC1 ZINC001167431308 840048186 /nfs/dbraw/zinc/04/81/86/840048186.db2.gz RRDVLXGPTWMLQL-QFIPXVFZSA-N 2 1 379.552 3.602 20 10 GHCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000766124373 857319213 /nfs/dbraw/zinc/31/92/13/857319213.db2.gz WYXWJZBAVANNHC-BPUDTRNYSA-N 2 1 381.564 3.676 20 10 GHCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000766124373 857319223 /nfs/dbraw/zinc/31/92/23/857319223.db2.gz WYXWJZBAVANNHC-BPUDTRNYSA-N 2 1 381.564 3.676 20 10 GHCDMP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000764464171 859457997 /nfs/dbraw/zinc/45/79/97/859457997.db2.gz MCWIJHDWWBDPCR-NQIIRXRSSA-N 2 1 386.609 3.844 20 10 GHCDMP CC[NH+](CC)CCCCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444222438 863711205 /nfs/dbraw/zinc/71/12/05/863711205.db2.gz LLAFPFZRJXETCN-UHFFFAOYSA-N 2 1 398.595 3.646 20 10 GHCDMP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000184943283 865065126 /nfs/dbraw/zinc/06/51/26/865065126.db2.gz IMROEIBPLYBQHL-KSZLIROESA-N 2 1 384.520 3.861 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccccc3[N+](=O)[O-])C3CC3)cc2)CC1 ZINC000775652003 872380033 /nfs/dbraw/zinc/38/00/33/872380033.db2.gz UVMQPWXGFSQJQJ-UHFFFAOYSA-N 2 1 380.492 3.511 20 10 GHCDMP Oc1cc(Br)ccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000691450261 873312400 /nfs/dbraw/zinc/31/24/00/873312400.db2.gz KKLMXZATUMZJNB-MRXNPFEDSA-N 2 1 375.310 3.766 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C[C@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000775738267 873319211 /nfs/dbraw/zinc/31/92/11/873319211.db2.gz XWQFGSFTVWPHOJ-RPWUZVMVSA-N 2 1 397.538 3.666 20 10 GHCDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1)CC1CC1 ZINC000770596039 874777775 /nfs/dbraw/zinc/77/77/75/874777775.db2.gz BAONQDBODDQMQG-UHFFFAOYSA-N 2 1 385.596 3.857 20 10 GHCDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC001199335975 874934246 /nfs/dbraw/zinc/93/42/46/874934246.db2.gz FLGYEFCDIFHZDA-FPLPWBNLSA-N 2 1 392.591 3.693 20 10 GHCDMP CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000771934820 875558052 /nfs/dbraw/zinc/55/80/52/875558052.db2.gz AFBHAMJMRSDVAQ-UHFFFAOYSA-N 2 1 380.580 3.915 20 10 GHCDMP COc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)C2)cc1 ZINC000850346628 876837323 /nfs/dbraw/zinc/83/73/23/876837323.db2.gz IEVGGVVERXKAPE-QFIPXVFZSA-N 2 1 397.538 3.710 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cc2c(cc1O)CCCC2 ZINC000850508028 876979997 /nfs/dbraw/zinc/97/99/97/876979997.db2.gz JWPKKBZGPXWSIH-JTSKRJEESA-N 2 1 380.532 3.688 20 10 GHCDMP Cc1cc(Br)cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1O ZINC000762652160 886620368 /nfs/dbraw/zinc/62/03/68/886620368.db2.gz WDYRTGYHOZSPPI-CABCVRRESA-N 2 1 385.346 3.615 20 10 GHCDMP Cc1cc(Br)cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1O ZINC000762652160 886620384 /nfs/dbraw/zinc/62/03/84/886620384.db2.gz WDYRTGYHOZSPPI-CABCVRRESA-N 2 1 385.346 3.615 20 10 GHCDMP Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c1O ZINC000808677803 886679158 /nfs/dbraw/zinc/67/91/58/886679158.db2.gz DPDVYZCVOUUJJH-KRWDZBQOSA-N 2 1 387.955 3.952 20 10 GHCDMP C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741138 887776368 /nfs/dbraw/zinc/77/63/68/887776368.db2.gz KKMWJNMXJWUIJC-QHCPKHFHSA-N 2 1 379.548 3.660 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1OC ZINC000814224165 892415593 /nfs/dbraw/zinc/41/55/93/892415593.db2.gz AQPZAKCORBQVDH-UHFFFAOYSA-N 2 1 396.531 3.898 20 10 GHCDMP COc1ccc(N2CC[C@@H](C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)cc1 ZINC000818219815 896084096 /nfs/dbraw/zinc/08/40/96/896084096.db2.gz DLIKLCVYAXPPNY-QFIPXVFZSA-N 2 1 393.575 3.818 20 10 GHCDMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144509952 902309988 /nfs/dbraw/zinc/30/99/88/902309988.db2.gz OJBIIPOFOQVEOW-LSBZLQRGSA-N 2 1 388.533 3.597 20 10 GHCDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144509952 902309996 /nfs/dbraw/zinc/30/99/96/902309996.db2.gz OJBIIPOFOQVEOW-LSBZLQRGSA-N 2 1 388.533 3.597 20 10 GHCDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@H]21 ZINC001144509952 902310000 /nfs/dbraw/zinc/31/00/00/902310000.db2.gz OJBIIPOFOQVEOW-LSBZLQRGSA-N 2 1 388.533 3.597 20 10 GHCDMP COc1ccc(C[C@@H](C)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001178374227 909021550 /nfs/dbraw/zinc/02/15/50/909021550.db2.gz RESAYPZUZMHEHO-GOSISDBHSA-N 2 1 385.527 3.555 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCc3cccc(Cl)c3)cc2F)CC1 ZINC001178611136 909143925 /nfs/dbraw/zinc/14/39/25/909143925.db2.gz XLCBBRMUWBCRDA-UHFFFAOYSA-N 2 1 375.919 3.953 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3csc(-c4ccc(F)cc4)n3)cc2)CC1 ZINC001179453971 909535470 /nfs/dbraw/zinc/53/54/70/909535470.db2.gz VUQNKQZUCPIUMC-UHFFFAOYSA-N 2 1 396.535 3.991 20 10 GHCDMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)CC1 ZINC000757278368 929685159 /nfs/dbraw/zinc/68/51/59/929685159.db2.gz VCYZXEXLOQHPHM-IBGZPJMESA-N 2 1 395.547 3.556 20 10 GHCDMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)[C@H]2CCC[C@H]21 ZINC000796747271 932052253 /nfs/dbraw/zinc/05/22/53/932052253.db2.gz UUHFZGKEPGLOPE-HSALFYBXSA-N 2 1 379.495 3.719 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)[C@@H]3CCN(Cc4ccccc4)C3)cc2)CC1 ZINC001140300385 1021346539 /nfs/dbraw/zinc/34/65/39/1021346539.db2.gz NFECUQWFFHFQOJ-RUZDIDTESA-N 2 1 392.591 3.535 20 10 GHCDMP CC[NH+]1CCN(c2ccc(CN(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001140300385 1021346556 /nfs/dbraw/zinc/34/65/56/1021346556.db2.gz NFECUQWFFHFQOJ-RUZDIDTESA-N 2 1 392.591 3.535 20 10 GHCDMP CC[NH+]1CCN(c2ccc(CN(C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001140300385 1021346572 /nfs/dbraw/zinc/34/65/72/1021346572.db2.gz NFECUQWFFHFQOJ-RUZDIDTESA-N 2 1 392.591 3.535 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](OCc4ccccc4)C3)cc2)CC1 ZINC001140304109 1021355178 /nfs/dbraw/zinc/35/51/78/1021355178.db2.gz IKGBTUHDRKYXPY-XMMPIXPASA-N 2 1 379.548 3.620 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](CC(=O)c3ccccc3)C(C)C)cc2)CC1 ZINC001140305565 1021360889 /nfs/dbraw/zinc/36/08/89/1021360889.db2.gz CHHUTLKYXPVUSD-UHFFFAOYSA-N 2 1 379.548 3.922 20 10 GHCDMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cc(O)ccc2O)CC3)c1 ZINC001141159917 1023985302 /nfs/dbraw/zinc/98/53/02/1023985302.db2.gz NEWHUSHCLYCKTA-UHFFFAOYSA-N 2 1 382.504 3.595 20 10 GHCDMP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC001138547525 1024993526 /nfs/dbraw/zinc/99/35/26/1024993526.db2.gz OACSTLILYOVQMY-UHFFFAOYSA-N 2 1 376.504 3.649 20 10 GHCDMP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC001138547525 1024993529 /nfs/dbraw/zinc/99/35/29/1024993529.db2.gz OACSTLILYOVQMY-UHFFFAOYSA-N 2 1 376.504 3.649 20 10 GHCDMP COc1cc(C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)cc(C[NH+](C)C)c1O ZINC001139257755 1026108264 /nfs/dbraw/zinc/10/82/64/1026108264.db2.gz GHNFQLWZLPHBGS-OAQYLSRUSA-N 2 1 384.520 3.644 20 10 GHCDMP COc1ccccc1S[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139411159 1026281361 /nfs/dbraw/zinc/28/13/61/1026281361.db2.gz XEIMEZYEUWPHMG-OAQYLSRUSA-N 2 1 397.588 3.814 20 10 GHCDMP COc1ccc(C[C@H]2CCC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)cc1 ZINC001139410902 1026281686 /nfs/dbraw/zinc/28/16/86/1026281686.db2.gz LBZLRSFIBGOUHF-HSZRJFAPSA-N 2 1 393.575 3.902 20 10 GHCDMP COc1ccc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c(O)c1 ZINC001203628786 1027489661 /nfs/dbraw/zinc/48/96/61/1027489661.db2.gz FLAJDDNQIDNLMR-UHFFFAOYSA-N 2 1 383.879 3.925 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)cc1 ZINC001203932082 1027723833 /nfs/dbraw/zinc/72/38/33/1027723833.db2.gz QNQHKTKGHHXOQS-UHFFFAOYSA-N 2 1 385.577 3.681 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cc1 ZINC001203932082 1027723852 /nfs/dbraw/zinc/72/38/52/1027723852.db2.gz QNQHKTKGHHXOQS-UHFFFAOYSA-N 2 1 385.577 3.681 20 10 GHCDMP c1ccc(COc2ccc(N3CC[NH+]([C@H]4C[C@H]5CC[C@@H](C4)[NH2+]5)CC3)cc2)cc1 ZINC001247007849 1037831416 /nfs/dbraw/zinc/83/14/16/1037831416.db2.gz WXHBYHUEEMVBEC-SGRGSNTQSA-N 2 1 377.532 3.671 20 10 GHCDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001232838499 1038590154 /nfs/dbraw/zinc/59/01/54/1038590154.db2.gz GSHUZNSECWKTOJ-NMNUPHIUSA-N 2 1 394.563 3.586 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001232838499 1038590159 /nfs/dbraw/zinc/59/01/59/1038590159.db2.gz GSHUZNSECWKTOJ-NMNUPHIUSA-N 2 1 394.563 3.586 20 10 GHCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001232838499 1038590166 /nfs/dbraw/zinc/59/01/66/1038590166.db2.gz GSHUZNSECWKTOJ-NMNUPHIUSA-N 2 1 394.563 3.586 20 10 GHCDMP CN(C)c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001232838499 1038590169 /nfs/dbraw/zinc/59/01/69/1038590169.db2.gz GSHUZNSECWKTOJ-NMNUPHIUSA-N 2 1 394.563 3.586 20 10 GHCDMP Oc1ccc2cc(Br)ccc2c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234999627 1040495253 /nfs/dbraw/zinc/49/52/53/1040495253.db2.gz NICLFJNTNMGUPN-IBGZPJMESA-N 2 1 375.310 3.883 20 10 GHCDMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](Cc1ccc(N(C)C)c(C)c1)CC2 ZINC001235018347 1040507562 /nfs/dbraw/zinc/50/75/62/1040507562.db2.gz FYODWYNGRMGNSD-UHFFFAOYSA-N 2 1 379.548 3.707 20 10 GHCDMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+](Cc1ccc(N(C)C)c(C)c1)CC2 ZINC001235018347 1040507582 /nfs/dbraw/zinc/50/75/82/1040507582.db2.gz FYODWYNGRMGNSD-UHFFFAOYSA-N 2 1 379.548 3.707 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1Cl ZINC001235375111 1040883068 /nfs/dbraw/zinc/88/30/68/1040883068.db2.gz YXOQKSJTXRIHJH-GCJKJVERSA-N 2 1 386.923 3.807 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1Cl ZINC001235375111 1040883092 /nfs/dbraw/zinc/88/30/92/1040883092.db2.gz YXOQKSJTXRIHJH-GCJKJVERSA-N 2 1 386.923 3.807 20 10 GHCDMP Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235375743 1040886892 /nfs/dbraw/zinc/88/68/92/1040886892.db2.gz QPWNYHAWIGURDM-QUCCMNQESA-N 2 1 376.422 3.990 20 10 GHCDMP Oc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001235375743 1040886914 /nfs/dbraw/zinc/88/69/14/1040886914.db2.gz QPWNYHAWIGURDM-QUCCMNQESA-N 2 1 376.422 3.990 20 10 GHCDMP Oc1cc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(O)cc1Br ZINC001236374215 1041686027 /nfs/dbraw/zinc/68/60/27/1041686027.db2.gz BNWPBTLBBNMSPI-CYBMUJFWSA-N 2 1 383.330 3.605 20 10 GHCDMP CN1CCOc2cc(C[N@H+](Cc3ccc(F)cc3)CC3CC[NH2+]CC3)ccc21 ZINC001236382172 1041691604 /nfs/dbraw/zinc/69/16/04/1041691604.db2.gz PCTUWOVMJFHNDM-UHFFFAOYSA-N 2 1 383.511 3.656 20 10 GHCDMP COc1ccc(C[N@H+](Cc2cc(Cl)ccc2O)C2CC[NH2+]CC2)cc1F ZINC001236517065 1041749692 /nfs/dbraw/zinc/74/96/92/1041749692.db2.gz PAVCDVXQLOICGU-UHFFFAOYSA-N 2 1 378.875 3.948 20 10 GHCDMP COc1ccc(C[N@@H+](Cc2cc(Cl)ccc2O)C2CC[NH2+]CC2)cc1F ZINC001236517065 1041749699 /nfs/dbraw/zinc/74/96/99/1041749699.db2.gz PAVCDVXQLOICGU-UHFFFAOYSA-N 2 1 378.875 3.948 20 10 GHCDMP Cc1cc(F)ccc1C[N@@H+](Cc1ccc2c(c1)OCCN2C)C1CC[NH2+]CC1 ZINC001236521175 1041751260 /nfs/dbraw/zinc/75/12/60/1041751260.db2.gz JTCRCHKITZIXJK-UHFFFAOYSA-N 2 1 383.511 3.717 20 10 GHCDMP Cc1cc(F)ccc1C[N@H+](Cc1ccc2c(c1)OCCN2C)C1CC[NH2+]CC1 ZINC001236521175 1041751265 /nfs/dbraw/zinc/75/12/65/1041751265.db2.gz JTCRCHKITZIXJK-UHFFFAOYSA-N 2 1 383.511 3.717 20 10 GHCDMP COc1cc(C[N@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)c(O)c(OC)c1 ZINC001236521927 1041752499 /nfs/dbraw/zinc/75/24/99/1041752499.db2.gz GQAQPDRXGYKBIC-UHFFFAOYSA-N 2 1 388.483 3.611 20 10 GHCDMP COc1cc(C[N@@H+](Cc2ccc(F)cc2C)C2CC[NH2+]CC2)c(O)c(OC)c1 ZINC001236521927 1041752504 /nfs/dbraw/zinc/75/25/04/1041752504.db2.gz GQAQPDRXGYKBIC-UHFFFAOYSA-N 2 1 388.483 3.611 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc1OC ZINC001236757256 1041875729 /nfs/dbraw/zinc/87/57/29/1041875729.db2.gz JIQIEIJQDSPSMJ-CSNZXNIXSA-N 2 1 398.547 3.804 20 10 GHCDMP COc1cc(O)c(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1OC ZINC001236757256 1041875738 /nfs/dbraw/zinc/87/57/38/1041875738.db2.gz JIQIEIJQDSPSMJ-CSNZXNIXSA-N 2 1 398.547 3.804 20 10 GHCDMP COc1cc(O)c(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1OC ZINC001236757256 1041875744 /nfs/dbraw/zinc/87/57/44/1041875744.db2.gz JIQIEIJQDSPSMJ-CSNZXNIXSA-N 2 1 398.547 3.804 20 10 GHCDMP Cc1cccc(O)c1C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001237487910 1042231678 /nfs/dbraw/zinc/23/16/78/1042231678.db2.gz FZVHAOLYEWFCAT-OAQYLSRUSA-N 2 1 380.532 3.956 20 10 GHCDMP COc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679800 1042320752 /nfs/dbraw/zinc/32/07/52/1042320752.db2.gz FFUFGHKAEKILME-DEOSSOPVSA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679800 1042320761 /nfs/dbraw/zinc/32/07/61/1042320761.db2.gz FFUFGHKAEKILME-DEOSSOPVSA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679800 1042320770 /nfs/dbraw/zinc/32/07/70/1042320770.db2.gz FFUFGHKAEKILME-DEOSSOPVSA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679800 1042320776 /nfs/dbraw/zinc/32/07/76/1042320776.db2.gz FFUFGHKAEKILME-DEOSSOPVSA-N 2 1 396.531 3.898 20 10 GHCDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001279940579 1047994680 /nfs/dbraw/zinc/99/46/80/1047994680.db2.gz ILPNTLAGCGNSCK-OALUTQOASA-N 2 1 379.976 3.553 20 10 GHCDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001308439484 1049976671 /nfs/dbraw/zinc/97/66/71/1049976671.db2.gz GTAWXDAWTDOCSD-NFBKMPQASA-N 2 1 385.527 3.518 20 10 GHCDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001308439484 1049976676 /nfs/dbraw/zinc/97/66/76/1049976676.db2.gz GTAWXDAWTDOCSD-NFBKMPQASA-N 2 1 385.527 3.518 20 10 GHCDMP CN1CCN(c2ccc(C[N@H+]3CCCO[C@H](c4ccccc4)C3)cc2F)CC1 ZINC001319702749 1055409704 /nfs/dbraw/zinc/40/97/04/1055409704.db2.gz SHLZYNBGCVVLGN-QHCPKHFHSA-N 2 1 383.511 3.541 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCO[C@H](c4ccccc4)C3)cc2F)CC1 ZINC001319702749 1055409719 /nfs/dbraw/zinc/40/97/19/1055409719.db2.gz SHLZYNBGCVVLGN-QHCPKHFHSA-N 2 1 383.511 3.541 20 10 GHCDMP CCc1ccc([C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)N(C)C)cc1 ZINC001321654264 1056353232 /nfs/dbraw/zinc/35/32/32/1056353232.db2.gz QFHUUTYQSXWNMO-XMMPIXPASA-N 2 1 398.570 3.532 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC(C)(C)Oc4ccc(N)cc43)cc2F)CC1 ZINC001325625289 1057346997 /nfs/dbraw/zinc/34/69/97/1057346997.db2.gz JTAHJOAFLWTEMP-FQEVSTJZSA-N 2 1 398.526 3.552 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCSCc3ccccc3F)cc2F)CC1 ZINC001338752292 1058764515 /nfs/dbraw/zinc/76/45/15/1058764515.db2.gz WQZHLDVEDFQSMI-UHFFFAOYSA-N 2 1 391.531 3.740 20 10 GHCDMP CC[N@H+](Cc1cc(OC)c(OC)cc1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000160326837 838293435 /nfs/dbraw/zinc/29/34/35/838293435.db2.gz NDAUVPDJSVKLKC-LJQANCHMSA-N 2 1 384.520 3.753 20 10 GHCDMP CC[NH+](Cc1cc(OC)c(OC)cc1O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160326837 838293441 /nfs/dbraw/zinc/29/34/41/838293441.db2.gz NDAUVPDJSVKLKC-LJQANCHMSA-N 2 1 384.520 3.753 20 10 GHCDMP CC[NH+](Cc1cc(OC)c(OC)cc1O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000160326837 838293449 /nfs/dbraw/zinc/29/34/49/838293449.db2.gz NDAUVPDJSVKLKC-LJQANCHMSA-N 2 1 384.520 3.753 20 10 GHCDMP CCC1([NH+]2CCCCC2)CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000895553954 859647572 /nfs/dbraw/zinc/64/75/72/859647572.db2.gz ODSVBGSWUDIULM-UHFFFAOYSA-N 2 1 385.596 3.878 20 10 GHCDMP COc1cc(O)c(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cc1OC ZINC000182421513 872337255 /nfs/dbraw/zinc/33/72/55/872337255.db2.gz AFASBOLVIVRIRV-UHFFFAOYSA-N 2 1 396.487 3.924 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCCO)[C@H]3CCCc4ccccc43)cc2)CC1 ZINC000775725342 873199712 /nfs/dbraw/zinc/19/97/12/873199712.db2.gz MHYFKFSDNADAGM-VWLOTQADSA-N 2 1 393.575 3.700 20 10 GHCDMP CN1CCN(c2ccc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cc2)CC1 ZINC000775725036 873203235 /nfs/dbraw/zinc/20/32/35/873203235.db2.gz FWQBCJRWIHVKKF-UHFFFAOYSA-N 2 1 384.612 3.526 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1OC ZINC000768465280 873331047 /nfs/dbraw/zinc/33/10/47/873331047.db2.gz FHIOBWPOUOCKOD-XMMPIXPASA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1OC ZINC000768465280 873331062 /nfs/dbraw/zinc/33/10/62/873331062.db2.gz FHIOBWPOUOCKOD-XMMPIXPASA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1OC ZINC000768465280 873331079 /nfs/dbraw/zinc/33/10/79/873331079.db2.gz FHIOBWPOUOCKOD-XMMPIXPASA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1OC ZINC000768465280 873331089 /nfs/dbraw/zinc/33/10/89/873331089.db2.gz FHIOBWPOUOCKOD-XMMPIXPASA-N 2 1 396.531 3.898 20 10 GHCDMP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001201880889 875919711 /nfs/dbraw/zinc/91/97/11/875919711.db2.gz GPKPJWZXXOGXGL-MRXNPFEDSA-N 2 1 387.547 3.688 20 10 GHCDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000850406558 876888331 /nfs/dbraw/zinc/88/83/31/876888331.db2.gz LFRXAXXABNYTBI-REWPJTCUSA-N 2 1 393.575 3.790 20 10 GHCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc2oc3ccccc3c2cc1O ZINC000746647360 877199385 /nfs/dbraw/zinc/19/93/85/877199385.db2.gz IILLTRYEJOFPNA-ICPLQIHGSA-N 2 1 380.488 3.975 20 10 GHCDMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000790749608 879980982 /nfs/dbraw/zinc/98/09/82/879980982.db2.gz ZAWPOFIXFDMEND-KRWDZBQOSA-N 2 1 379.976 3.949 20 10 GHCDMP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCN1c1cc[nH+]cc1 ZINC001183532850 912641400 /nfs/dbraw/zinc/64/14/00/912641400.db2.gz GZASBJGLXURUBN-OAHLLOKOSA-N 2 1 378.442 3.877 20 10 GHCDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CCN1c1cc[nH+]cc1 ZINC001183532850 912641411 /nfs/dbraw/zinc/64/14/11/912641411.db2.gz GZASBJGLXURUBN-OAHLLOKOSA-N 2 1 378.442 3.877 20 10 GHCDMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c2ccccc21 ZINC000817887711 895930850 /nfs/dbraw/zinc/93/08/50/895930850.db2.gz CPGCDCJTVLKDAF-WOJBJXKFSA-N 2 1 391.437 3.776 20 10 GHCDMP CCC1(CC)[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H](C)[C@H]1OC ZINC001178356330 909029713 /nfs/dbraw/zinc/02/97/13/909029713.db2.gz OGDORNUELRQZEW-MAODMQOUSA-N 2 1 377.548 3.507 20 10 GHCDMP CCN(Cc1ccccc1)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827698846 925930525 /nfs/dbraw/zinc/93/05/25/925930525.db2.gz BXYUSQIBHCPEBR-RUZDIDTESA-N 2 1 393.575 3.744 20 10 GHCDMP CCN(Cc1ccccc1)c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827698846 925930528 /nfs/dbraw/zinc/93/05/28/925930528.db2.gz BXYUSQIBHCPEBR-RUZDIDTESA-N 2 1 393.575 3.744 20 10 GHCDMP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140664725 1022208459 /nfs/dbraw/zinc/20/84/59/1022208459.db2.gz QGJRKUSFPWVSAI-VQTJNVASSA-N 2 1 375.532 3.501 20 10 GHCDMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140664725 1022208466 /nfs/dbraw/zinc/20/84/66/1022208466.db2.gz QGJRKUSFPWVSAI-VQTJNVASSA-N 2 1 375.532 3.501 20 10 GHCDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140664725 1022208475 /nfs/dbraw/zinc/20/84/75/1022208475.db2.gz QGJRKUSFPWVSAI-VQTJNVASSA-N 2 1 375.532 3.501 20 10 GHCDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140664725 1022208486 /nfs/dbraw/zinc/20/84/86/1022208486.db2.gz QGJRKUSFPWVSAI-VQTJNVASSA-N 2 1 375.532 3.501 20 10 GHCDMP Cc1c(O)ccc(C[NH+]2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1O ZINC001140744666 1022411880 /nfs/dbraw/zinc/41/18/80/1022411880.db2.gz GOXVLVZXJRXFAB-UHFFFAOYSA-N 2 1 381.520 3.678 20 10 GHCDMP C[C@@H]1C[C@@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c2c1c(F)ccc2O ZINC000756531978 1023700813 /nfs/dbraw/zinc/70/08/13/1023700813.db2.gz BWZQYIZBHUHSCD-NSISKUIASA-N 2 1 383.511 3.658 20 10 GHCDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc2c(cc1O)CCCC2 ZINC000756602171 1023730875 /nfs/dbraw/zinc/73/08/75/1023730875.db2.gz CNDHRUIKORQXNM-UUOWRZLLSA-N 2 1 380.532 3.559 20 10 GHCDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc2c(cc1O)CCCC2 ZINC000756602171 1023730878 /nfs/dbraw/zinc/73/08/78/1023730878.db2.gz CNDHRUIKORQXNM-UUOWRZLLSA-N 2 1 380.532 3.559 20 10 GHCDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001138216830 1024383735 /nfs/dbraw/zinc/38/37/35/1024383735.db2.gz MTUXSBAHMLAIRP-ILBGXUMGSA-N 2 1 397.607 3.857 20 10 GHCDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001138216830 1024383755 /nfs/dbraw/zinc/38/37/55/1024383755.db2.gz MTUXSBAHMLAIRP-ILBGXUMGSA-N 2 1 397.607 3.857 20 10 GHCDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001138216830 1024383783 /nfs/dbraw/zinc/38/37/83/1024383783.db2.gz MTUXSBAHMLAIRP-ILBGXUMGSA-N 2 1 397.607 3.857 20 10 GHCDMP c1[nH+]c2cc(NCc3ccc4c(c3)CC[NH2+]C4)ccc2n1[C@@H]1CCC[NH2+]CC1 ZINC001162807764 1025925117 /nfs/dbraw/zinc/92/51/17/1025925117.db2.gz RGCWHNLLLRPVFS-OAQYLSRUSA-N 3 1 375.520 3.609 20 10 GHCDMP COc1cccc([C@H]2CCC[N@@H+](Cc3cc(C[NH+](C)C)c(O)c(OC)c3)C2)c1 ZINC001139261097 1026111720 /nfs/dbraw/zinc/11/17/20/1026111720.db2.gz UPDFKAYSJNGGQB-IBGZPJMESA-N 2 1 384.520 3.851 20 10 GHCDMP COc1cccc([C@H]2CCC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)c1 ZINC001139410770 1026281954 /nfs/dbraw/zinc/28/19/54/1026281954.db2.gz CVMPQKGZKPHBLF-QFIPXVFZSA-N 2 1 379.548 3.827 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCSC[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC001139412353 1026286038 /nfs/dbraw/zinc/28/60/38/1026286038.db2.gz ICBZZSGIPWDLET-JOCHJYFZSA-N 2 1 385.552 3.868 20 10 GHCDMP Cn1cc(C[N@@H+]2CCCC23CC[NH+](Cc2c(O)ccc4ccccc42)CC3)cn1 ZINC001231586757 1034738849 /nfs/dbraw/zinc/73/88/49/1034738849.db2.gz GCQHBBDGWVXWAF-UHFFFAOYSA-N 2 1 390.531 3.910 20 10 GHCDMP Cn1cc(C[N@H+]2CCCC23CC[NH+](Cc2c(O)ccc4ccccc42)CC3)cn1 ZINC001231586757 1034738864 /nfs/dbraw/zinc/73/88/64/1034738864.db2.gz GCQHBBDGWVXWAF-UHFFFAOYSA-N 2 1 390.531 3.910 20 10 GHCDMP COc1cccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccc(C)c4O)CC3)C2)c1 ZINC001231592588 1034747245 /nfs/dbraw/zinc/74/72/45/1034747245.db2.gz NXLBNEGRWVUIJN-UHFFFAOYSA-N 2 1 396.531 3.576 20 10 GHCDMP COc1cccc(C[N@H+]2CCOC3(CC[NH+](Cc4cccc(C)c4O)CC3)C2)c1 ZINC001231592588 1034747260 /nfs/dbraw/zinc/74/72/60/1034747260.db2.gz NXLBNEGRWVUIJN-UHFFFAOYSA-N 2 1 396.531 3.576 20 10 GHCDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001232203229 1035160047 /nfs/dbraw/zinc/16/00/47/1035160047.db2.gz QFLISGMERLYSHH-UHFFFAOYSA-N 2 1 379.976 3.729 20 10 GHCDMP C[C@@H]1CC([NH+]2CCN(c3ccc(OCc4ccccc4)cc3)CC2)C[C@@H](C)[NH2+]1 ZINC001246998169 1037821077 /nfs/dbraw/zinc/82/10/77/1037821077.db2.gz AYGJZQOCQAOJQC-WOJBJXKFSA-N 2 1 379.548 3.917 20 10 GHCDMP Oc1cc(O)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1Cl ZINC001232261810 1037983300 /nfs/dbraw/zinc/98/33/00/1037983300.db2.gz PRFFYARXSCYJGH-UHFFFAOYSA-N 2 1 376.884 3.832 20 10 GHCDMP Oc1cc(O)c(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1Cl ZINC001232261148 1037983475 /nfs/dbraw/zinc/98/34/75/1037983475.db2.gz DHBNKEZDPBKTDM-UHFFFAOYSA-N 2 1 387.911 3.634 20 10 GHCDMP Clc1cc(N2CCOCC2)ccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235156242 1040648630 /nfs/dbraw/zinc/64/86/30/1040648630.db2.gz NMJQXUNOTSLWNJ-NRFANRHFSA-N 2 1 377.960 3.531 20 10 GHCDMP Cc1cc(Cl)cc(C[N@@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c1O ZINC001235648067 1041088569 /nfs/dbraw/zinc/08/85/69/1041088569.db2.gz CXOMGPVDLSYLKQ-UHFFFAOYSA-N 2 1 388.943 3.989 20 10 GHCDMP Cc1cc(Cl)cc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCCC4)c3C2)c1O ZINC001235648067 1041088586 /nfs/dbraw/zinc/08/85/86/1041088586.db2.gz CXOMGPVDLSYLKQ-UHFFFAOYSA-N 2 1 388.943 3.989 20 10 GHCDMP COCC[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)C1CC[NH2+]CC1 ZINC001235944410 1041449396 /nfs/dbraw/zinc/44/93/96/1041449396.db2.gz NLSNMBSJJVIEPS-UHFFFAOYSA-N 2 1 393.325 3.508 20 10 GHCDMP CC[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236286778 1041661215 /nfs/dbraw/zinc/66/12/15/1041661215.db2.gz OUXVDPIDWWFDNT-UHFFFAOYSA-N 2 1 393.453 3.843 20 10 GHCDMP COc1cc(O)c(C[N@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)cc1OC ZINC001236454113 1041719481 /nfs/dbraw/zinc/71/94/81/1041719481.db2.gz HJANSJLUNBBJQC-UHFFFAOYSA-N 2 1 390.911 3.817 20 10 GHCDMP COc1cc(O)c(C[N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)cc1OC ZINC001236454113 1041719486 /nfs/dbraw/zinc/71/94/86/1041719486.db2.gz HJANSJLUNBBJQC-UHFFFAOYSA-N 2 1 390.911 3.817 20 10 GHCDMP COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2F)cc1 ZINC001236940404 1041965521 /nfs/dbraw/zinc/96/55/21/1041965521.db2.gz PVIKQIJFDYIFOX-QHCPKHFHSA-N 2 1 383.511 3.923 20 10 GHCDMP Cc1cccc(O)c1C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001237485653 1042228459 /nfs/dbraw/zinc/22/84/59/1042228459.db2.gz JIDLPEHUIIMHPO-QPPBQGQZSA-N 2 1 384.564 3.661 20 10 GHCDMP Cc1cccc(O)c1C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001237485653 1042228463 /nfs/dbraw/zinc/22/84/63/1042228463.db2.gz JIDLPEHUIIMHPO-QPPBQGQZSA-N 2 1 384.564 3.661 20 10 GHCDMP Cc1cccc(O)c1C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001237485653 1042228471 /nfs/dbraw/zinc/22/84/71/1042228471.db2.gz JIDLPEHUIIMHPO-QPPBQGQZSA-N 2 1 384.564 3.661 20 10 GHCDMP COCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H](C)c1ccccc1 ZINC001324724947 1057212990 /nfs/dbraw/zinc/21/29/90/1057212990.db2.gz JNRREVVLHRBENO-IBGZPJMESA-N 2 1 385.527 3.787 20 10 GHCDMP COCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H](C)c1ccccc1 ZINC001324724947 1057212992 /nfs/dbraw/zinc/21/29/92/1057212992.db2.gz JNRREVVLHRBENO-IBGZPJMESA-N 2 1 385.527 3.787 20 10 GHCDMP COc1cccc([C@H]2C[C@H]([NH2+]Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)C2)c1 ZINC001326454087 1057486572 /nfs/dbraw/zinc/48/65/72/1057486572.db2.gz YLQHFTGBQIHQOL-MXVIHJGJSA-N 2 1 383.511 3.622 20 10 GHCDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001474234039 1074302415 /nfs/dbraw/zinc/30/24/15/1074302415.db2.gz IQWYMUDGSZAEHA-SIKLNZKXSA-N 2 1 397.538 3.520 20 10 GHCDMP COc1cccc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1O ZINC000377852927 838056103 /nfs/dbraw/zinc/05/61/03/838056103.db2.gz VGNOJQVUXOGMDH-UHFFFAOYSA-N 2 1 399.535 3.518 20 10 GHCDMP COc1cccc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1O ZINC000377852927 838056108 /nfs/dbraw/zinc/05/61/08/838056108.db2.gz VGNOJQVUXOGMDH-UHFFFAOYSA-N 2 1 399.535 3.518 20 10 GHCDMP Cc1cc(O)c(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1C ZINC000856560180 881440700 /nfs/dbraw/zinc/44/07/00/881440700.db2.gz KWNPTGMMRZDACT-JOCHJYFZSA-N 2 1 383.536 3.898 20 10 GHCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1C ZINC000856560180 881440706 /nfs/dbraw/zinc/44/07/06/881440706.db2.gz KWNPTGMMRZDACT-JOCHJYFZSA-N 2 1 383.536 3.898 20 10 GHCDMP Cc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1C ZINC000856560180 881440712 /nfs/dbraw/zinc/44/07/12/881440712.db2.gz KWNPTGMMRZDACT-JOCHJYFZSA-N 2 1 383.536 3.898 20 10 GHCDMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764761258 859598353 /nfs/dbraw/zinc/59/83/53/859598353.db2.gz IRAFXDSETHAQPJ-IBGZPJMESA-N 2 1 397.538 3.761 20 10 GHCDMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000764761258 859598362 /nfs/dbraw/zinc/59/83/62/859598362.db2.gz IRAFXDSETHAQPJ-IBGZPJMESA-N 2 1 397.538 3.761 20 10 GHCDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000738171862 865501931 /nfs/dbraw/zinc/50/19/31/865501931.db2.gz SZEGPPYECHTHAZ-LJQANCHMSA-N 2 1 393.531 3.894 20 10 GHCDMP COc1ccc(N2CCC([NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000793206236 882032951 /nfs/dbraw/zinc/03/29/51/882032951.db2.gz DDOUKMNRJZUQPM-NRFANRHFSA-N 2 1 379.548 3.776 20 10 GHCDMP Cc1c(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc(-c2ccccc2)n1-c1ccccc1 ZINC001193557136 871184134 /nfs/dbraw/zinc/18/41/34/871184134.db2.gz SHORDFSURLZNLQ-UHFFFAOYSA-N 2 1 389.503 3.527 20 10 GHCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000775715129 873094144 /nfs/dbraw/zinc/09/41/44/873094144.db2.gz CLKTXAQGTKIOEA-FDDCHVKYSA-N 2 1 383.511 3.540 20 10 GHCDMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1)c1ccccc1 ZINC000771761355 875469187 /nfs/dbraw/zinc/46/91/87/875469187.db2.gz KRXVQCUSYNLCFW-JOCHJYFZSA-N 2 1 395.547 3.556 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCOc4cc(F)ccc43)cc2F)CC1 ZINC001201740834 875837232 /nfs/dbraw/zinc/83/72/32/875837232.db2.gz AVKTVOQLPZYMOI-FQEVSTJZSA-N 2 1 387.474 3.720 20 10 GHCDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c1O ZINC000808677804 886678985 /nfs/dbraw/zinc/67/89/85/886678985.db2.gz DPDVYZCVOUUJJH-QGZVFWFLSA-N 2 1 387.955 3.952 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cn3)cc2)CC1 ZINC000883289998 897454938 /nfs/dbraw/zinc/45/49/38/897454938.db2.gz HTNYZUVGSPXYBP-DEOSSOPVSA-N 2 1 390.506 3.852 20 10 GHCDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C2)C1 ZINC000844903331 901486540 /nfs/dbraw/zinc/48/65/40/901486540.db2.gz XOACBWZLRFDHOW-YZUZCNPQSA-N 2 1 396.531 3.690 20 10 GHCDMP CO[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccccc1Cl ZINC001177999252 908841373 /nfs/dbraw/zinc/84/13/73/908841373.db2.gz CRQNHKGLOOIJDG-OAQYLSRUSA-N 2 1 391.918 3.708 20 10 GHCDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001116585198 933648092 /nfs/dbraw/zinc/64/80/92/933648092.db2.gz SOCVDOYRGWHTEP-WIYYLYMNSA-N 2 1 379.548 3.786 20 10 GHCDMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204240651 1032685380 /nfs/dbraw/zinc/68/53/80/1032685380.db2.gz AMTGSERUKHSIOF-NRFANRHFSA-N 2 1 381.564 3.981 20 10 GHCDMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(N(C)C)c3ccccc23)CC1 ZINC001204240651 1032685382 /nfs/dbraw/zinc/68/53/82/1032685382.db2.gz AMTGSERUKHSIOF-NRFANRHFSA-N 2 1 381.564 3.981 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C(=O)c4ccccc4)C3)cc2)CC1 ZINC001140309611 1021369891 /nfs/dbraw/zinc/36/98/91/1021369891.db2.gz NTEAGUOUYJUVMM-JOCHJYFZSA-N 2 1 377.532 3.533 20 10 GHCDMP CCN(CC)c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(O)c1 ZINC001140852600 1022702396 /nfs/dbraw/zinc/70/23/96/1022702396.db2.gz VCTOXZFSRDFGRS-IRLDBZIGSA-N 2 1 394.563 3.587 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(O)c1 ZINC001140852600 1022702409 /nfs/dbraw/zinc/70/24/09/1022702409.db2.gz VCTOXZFSRDFGRS-IRLDBZIGSA-N 2 1 394.563 3.587 20 10 GHCDMP CCN(CC)c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c(O)c1 ZINC001140852600 1022702424 /nfs/dbraw/zinc/70/24/24/1022702424.db2.gz VCTOXZFSRDFGRS-IRLDBZIGSA-N 2 1 394.563 3.587 20 10 GHCDMP CCN(CC)c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c(O)c1 ZINC001140852600 1022702437 /nfs/dbraw/zinc/70/24/37/1022702437.db2.gz VCTOXZFSRDFGRS-IRLDBZIGSA-N 2 1 394.563 3.587 20 10 GHCDMP CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1NC[C@]1(F)CCCC[NH2+]C1)N=[N+]=[N-] ZINC001162579216 1025805007 /nfs/dbraw/zinc/80/50/07/1025805007.db2.gz IDTAMZKHHFVESW-LZOLKVDOSA-N 2 1 390.463 3.806 20 10 GHCDMP COc1cc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)cc(C[NH+](C)C)c1O ZINC001139256820 1026105924 /nfs/dbraw/zinc/10/59/24/1026105924.db2.gz LUUGFTHNPBODQY-UHFFFAOYSA-N 2 1 383.536 3.695 20 10 GHCDMP COc1cc(C[N@H+]2CCC[C@@H](Oc3ccc(C)cc3)C2)cc(C[NH+](C)C)c1O ZINC001139256935 1026106227 /nfs/dbraw/zinc/10/62/27/1026106227.db2.gz NEHKDVNDMOHVSR-OAQYLSRUSA-N 2 1 384.520 3.814 20 10 GHCDMP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001203592081 1027457559 /nfs/dbraw/zinc/45/75/59/1027457559.db2.gz CBQPPFKJOYHRSN-WMQCIHAUSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001203592081 1027457564 /nfs/dbraw/zinc/45/75/64/1027457564.db2.gz CBQPPFKJOYHRSN-WMQCIHAUSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001203592081 1027457570 /nfs/dbraw/zinc/45/75/70/1027457570.db2.gz CBQPPFKJOYHRSN-WMQCIHAUSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1cccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001203592081 1027457589 /nfs/dbraw/zinc/45/75/89/1027457589.db2.gz CBQPPFKJOYHRSN-WMQCIHAUSA-N 2 1 381.520 3.528 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)cc1 ZINC001203932005 1027724076 /nfs/dbraw/zinc/72/40/76/1027724076.db2.gz OBYTXDHNOYIFDH-OAQYLSRUSA-N 2 1 383.536 3.601 20 10 GHCDMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cn1cccn1 ZINC001461460220 1069559830 /nfs/dbraw/zinc/55/98/30/1069559830.db2.gz KEZFAPMREVXCFP-JOCHJYFZSA-N 2 1 390.531 3.552 20 10 GHCDMP COc1ccc(C[N@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)c(O)c1 ZINC001222576106 1030208316 /nfs/dbraw/zinc/20/83/16/1030208316.db2.gz QEQSJLJSOABWST-NRFANRHFSA-N 2 1 396.531 3.704 20 10 GHCDMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](Oc2ccc(N4CC[NH2+]CC4)cc2)C3)cc1 ZINC001218344079 1030904721 /nfs/dbraw/zinc/90/47/21/1030904721.db2.gz PDSPEVGPDDGPFI-ACHVPNTGSA-N 2 1 377.532 3.671 20 10 GHCDMP COc1cc(C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c(O)cc1O ZINC001231635684 1034794219 /nfs/dbraw/zinc/79/42/19/1034794219.db2.gz GQHUORPVQKJYTH-UHFFFAOYSA-N 2 1 399.878 3.630 20 10 GHCDMP C[N@@H+](CCC=C1c2ccccc2CCc2ccccc21)CC1(O)CC[NH2+]CC1 ZINC001246050857 1037163085 /nfs/dbraw/zinc/16/30/85/1037163085.db2.gz GWLSJQZEMHAIIA-UHFFFAOYSA-N 2 1 376.544 3.653 20 10 GHCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246171858 1037222061 /nfs/dbraw/zinc/22/20/61/1037222061.db2.gz FQRCODYVDYLVGZ-RUMRUAAYSA-N 3 1 392.591 3.627 20 10 GHCDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H](C)N1Cc1ccccc1 ZINC001246171858 1037222074 /nfs/dbraw/zinc/22/20/74/1037222074.db2.gz FQRCODYVDYLVGZ-RUMRUAAYSA-N 2 1 392.591 3.627 20 10 GHCDMP C[C@@H]1C[C@@H](NCc2ccc(N3CC[NH2+]CC3)cc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001246171858 1037222084 /nfs/dbraw/zinc/22/20/84/1037222084.db2.gz FQRCODYVDYLVGZ-RUMRUAAYSA-N 2 1 392.591 3.627 20 10 GHCDMP C[C@@H]1C[C@@H](NCc2ccc(N3CC[NH2+]CC3)cc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001246171858 1037222096 /nfs/dbraw/zinc/22/20/96/1037222096.db2.gz FQRCODYVDYLVGZ-RUMRUAAYSA-N 2 1 392.591 3.627 20 10 GHCDMP CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001246173887 1037224802 /nfs/dbraw/zinc/22/48/02/1037224802.db2.gz NHSNHXLTPSBEJS-QHCPKHFHSA-N 3 1 392.591 3.629 20 10 GHCDMP CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CCN1Cc1ccccc1 ZINC001246173887 1037224816 /nfs/dbraw/zinc/22/48/16/1037224816.db2.gz NHSNHXLTPSBEJS-QHCPKHFHSA-N 2 1 392.591 3.629 20 10 GHCDMP CC1(C)C[C@@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001246173887 1037224833 /nfs/dbraw/zinc/22/48/33/1037224833.db2.gz NHSNHXLTPSBEJS-QHCPKHFHSA-N 2 1 392.591 3.629 20 10 GHCDMP CC1(C)C[C@@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001246173887 1037224842 /nfs/dbraw/zinc/22/48/42/1037224842.db2.gz NHSNHXLTPSBEJS-QHCPKHFHSA-N 2 1 392.591 3.629 20 10 GHCDMP C[C@H]1C[C@@H]([NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)CC[NH2+]1 ZINC001247006949 1037831746 /nfs/dbraw/zinc/83/17/46/1037831746.db2.gz VXQPFYHZZMQSHC-PXNSSMCTSA-N 2 1 376.504 3.757 20 10 GHCDMP Oc1c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cccc1OC(F)(F)F ZINC001233760985 1039596177 /nfs/dbraw/zinc/59/61/77/1039596177.db2.gz NMBNWOPXALQTFP-HDICACEKSA-N 2 1 392.421 3.855 20 10 GHCDMP Oc1c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cccc1OC(F)(F)F ZINC001233760985 1039596193 /nfs/dbraw/zinc/59/61/93/1039596193.db2.gz NMBNWOPXALQTFP-HDICACEKSA-N 2 1 392.421 3.855 20 10 GHCDMP Oc1c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cccc1OC(F)(F)F ZINC001233760985 1039596202 /nfs/dbraw/zinc/59/62/02/1039596202.db2.gz NMBNWOPXALQTFP-HDICACEKSA-N 2 1 392.421 3.855 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)c(O)c1 ZINC001235366644 1040859211 /nfs/dbraw/zinc/85/92/11/1040859211.db2.gz DWWYPLDDKMUAQQ-RCZVLFRGSA-N 2 1 393.575 3.992 20 10 GHCDMP COc1cc(O)c(C[N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)c(OC)c1 ZINC001236536415 1041755938 /nfs/dbraw/zinc/75/59/38/1041755938.db2.gz DBGJDYLJQUPXFK-QAQDUYKDSA-N 2 1 388.483 3.821 20 10 GHCDMP COC(=O)c1c(C[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c2ccccc2n1C ZINC001236541689 1041756719 /nfs/dbraw/zinc/75/67/19/1041756719.db2.gz QYAIZXYFYCDKRM-IYARVYRRSA-N 2 1 383.536 3.837 20 10 GHCDMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC2CC2)CC1 ZINC001236551288 1041759553 /nfs/dbraw/zinc/75/95/53/1041759553.db2.gz NWLRDMAABLJJGB-WGSAOQKQSA-N 2 1 377.960 3.659 20 10 GHCDMP CCc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)c(O)c1 ZINC001236788408 1041894182 /nfs/dbraw/zinc/89/41/82/1041894182.db2.gz TYYAIVBDCOKBIH-NOZRDPDXSA-N 2 1 398.591 3.915 20 10 GHCDMP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c(O)c1 ZINC001236788408 1041894189 /nfs/dbraw/zinc/89/41/89/1041894189.db2.gz TYYAIVBDCOKBIH-NOZRDPDXSA-N 2 1 398.591 3.915 20 10 GHCDMP CCc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCC2CC2)c(O)c1 ZINC001236788408 1041894200 /nfs/dbraw/zinc/89/42/00/1041894200.db2.gz TYYAIVBDCOKBIH-NOZRDPDXSA-N 2 1 398.591 3.915 20 10 GHCDMP C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236965092 1041972262 /nfs/dbraw/zinc/97/22/62/1041972262.db2.gz WKFDBKPBLCQNFQ-UHFFFAOYSA-N 2 1 396.554 3.810 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccc(F)c(N2CC[NH+](C)CC2)c1 ZINC001236965092 1041972264 /nfs/dbraw/zinc/97/22/64/1041972264.db2.gz WKFDBKPBLCQNFQ-UHFFFAOYSA-N 2 1 396.554 3.810 20 10 GHCDMP CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001237041491 1042001905 /nfs/dbraw/zinc/00/19/05/1042001905.db2.gz MFTHQAQRVFKWHZ-NMNUPHIUSA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001237041491 1042001909 /nfs/dbraw/zinc/00/19/09/1042001909.db2.gz MFTHQAQRVFKWHZ-NMNUPHIUSA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001237041491 1042001918 /nfs/dbraw/zinc/00/19/18/1042001918.db2.gz MFTHQAQRVFKWHZ-NMNUPHIUSA-N 2 1 395.547 3.918 20 10 GHCDMP CCOc1ccc(C[NH+]2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(O)c1 ZINC001237041491 1042001925 /nfs/dbraw/zinc/00/19/25/1042001925.db2.gz MFTHQAQRVFKWHZ-NMNUPHIUSA-N 2 1 395.547 3.918 20 10 GHCDMP C[C@@H](c1cccc(Br)c1)[N@@H+](C)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001237057883 1042014167 /nfs/dbraw/zinc/01/41/67/1042014167.db2.gz OIQXYHRHUHOJFZ-ZDUSSCGKSA-N 2 1 391.309 3.830 20 10 GHCDMP COc1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c(O)c(OC)c1 ZINC001237679660 1042320287 /nfs/dbraw/zinc/32/02/87/1042320287.db2.gz XNRVOLQXTCZNFU-UHFFFAOYSA-N 2 1 384.520 3.753 20 10 GHCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258146494 1044435211 /nfs/dbraw/zinc/43/52/11/1044435211.db2.gz ZWVKPOMPJBLQMI-UHFFFAOYSA-N 2 1 393.575 3.662 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001258146494 1044435224 /nfs/dbraw/zinc/43/52/24/1044435224.db2.gz ZWVKPOMPJBLQMI-UHFFFAOYSA-N 2 1 393.575 3.662 20 10 GHCDMP Oc1ccccc1C[NH+]1CCC([NH2+]C2CCN(c3cccc(F)c3)CC2)CC1 ZINC001258415622 1044548301 /nfs/dbraw/zinc/54/83/01/1044548301.db2.gz ADKJYAZQGXJTQW-UHFFFAOYSA-N 2 1 383.511 3.754 20 10 GHCDMP Oc1cc(O)c(C[NH+]2CCC3(CC[N@@H+](Cc4ccc[nH]4)C3)CC2)cc1Cl ZINC001279572471 1047841842 /nfs/dbraw/zinc/84/18/42/1047841842.db2.gz JVYBBCVPBJFGND-UHFFFAOYSA-N 2 1 375.900 3.567 20 10 GHCDMP CCc1ccc([C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)N(C)C)cc1 ZINC001321654263 1056353268 /nfs/dbraw/zinc/35/32/68/1056353268.db2.gz QFHUUTYQSXWNMO-DEOSSOPVSA-N 2 1 398.570 3.532 20 10 GHCDMP CCc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1O ZINC000848914924 1057418231 /nfs/dbraw/zinc/41/82/31/1057418231.db2.gz VKXGUNMFGYOWMQ-HSZRJFAPSA-N 2 1 394.559 3.973 20 10 GHCDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001474234038 1074302968 /nfs/dbraw/zinc/30/29/68/1074302968.db2.gz IQWYMUDGSZAEHA-KNQAVFIVSA-N 2 1 397.538 3.520 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@@H]3C[C@H]3Cc3ccccc3)cc2F)CC1 ZINC001474288898 1074326107 /nfs/dbraw/zinc/32/61/07/1074326107.db2.gz MMBKGRDWKGVEQW-FGZHOGPDSA-N 2 1 381.539 3.936 20 10 GHCDMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c(O)c1OC ZINC000893019012 839947674 /nfs/dbraw/zinc/94/76/74/839947674.db2.gz PKHWOQSVFWPBJL-UHFFFAOYSA-N 2 1 396.487 3.924 20 10 GHCDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(Cl)ccc3O)C2)ccn1 ZINC000856552991 881380161 /nfs/dbraw/zinc/38/01/61/881380161.db2.gz JRILPZMWKQSYFD-IBGZPJMESA-N 2 1 375.900 3.546 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)ccn1 ZINC000856552991 881380189 /nfs/dbraw/zinc/38/01/89/881380189.db2.gz JRILPZMWKQSYFD-IBGZPJMESA-N 2 1 375.900 3.546 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)ccn1 ZINC000856552991 881380231 /nfs/dbraw/zinc/38/02/31/881380231.db2.gz JRILPZMWKQSYFD-IBGZPJMESA-N 2 1 375.900 3.546 20 10 GHCDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(Cl)ccc3O)C2)ccn1 ZINC000856552992 881381099 /nfs/dbraw/zinc/38/10/99/881381099.db2.gz JRILPZMWKQSYFD-LJQANCHMSA-N 2 1 375.900 3.546 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)ccn1 ZINC000856552992 881381121 /nfs/dbraw/zinc/38/11/21/881381121.db2.gz JRILPZMWKQSYFD-LJQANCHMSA-N 2 1 375.900 3.546 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)ccn1 ZINC000856552992 881381141 /nfs/dbraw/zinc/38/11/41/881381141.db2.gz JRILPZMWKQSYFD-LJQANCHMSA-N 2 1 375.900 3.546 20 10 GHCDMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765238039 859851685 /nfs/dbraw/zinc/85/16/85/859851685.db2.gz KJIDJHSPEUJZMH-ZWKOTPCHSA-N 2 1 379.976 3.949 20 10 GHCDMP CCN(CC)c1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000920957247 882473077 /nfs/dbraw/zinc/47/30/77/882473077.db2.gz STKFPTYREFXMAQ-OAQYLSRUSA-N 2 1 386.609 3.673 20 10 GHCDMP CN1CCN(c2ccc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)cc2)CC1 ZINC000775652963 872387087 /nfs/dbraw/zinc/38/70/87/872387087.db2.gz XEIZUWIRARCUSP-UHFFFAOYSA-N 2 1 384.612 3.526 20 10 GHCDMP COc1cc(O)c(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000776251990 876030971 /nfs/dbraw/zinc/03/09/71/876030971.db2.gz HVRIGPABYBQRNA-IEBWSBKVSA-N 2 1 384.520 3.800 20 10 GHCDMP c1ccc(CN2CCc3cc(C[NH2+]C4CC[NH+]([C@H]5CCOC5)CC4)ccc32)cc1 ZINC000850396418 876877709 /nfs/dbraw/zinc/87/77/09/876877709.db2.gz JWLYCBORHAIMIS-DEOSSOPVSA-N 2 1 391.559 3.592 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC000795722619 912713334 /nfs/dbraw/zinc/71/33/34/912713334.db2.gz WTLGWOHZRWPTNU-HSZRJFAPSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1OC ZINC000795722619 912713346 /nfs/dbraw/zinc/71/33/46/912713346.db2.gz WTLGWOHZRWPTNU-HSZRJFAPSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1OC ZINC000795722619 912713354 /nfs/dbraw/zinc/71/33/54/912713354.db2.gz WTLGWOHZRWPTNU-HSZRJFAPSA-N 2 1 382.504 3.507 20 10 GHCDMP COc1cc(O)c(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1OC ZINC000795722619 912713409 /nfs/dbraw/zinc/71/34/09/912713409.db2.gz WTLGWOHZRWPTNU-HSZRJFAPSA-N 2 1 382.504 3.507 20 10 GHCDMP CCc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000763338018 888522949 /nfs/dbraw/zinc/52/29/49/888522949.db2.gz OLLGHNSOMRGCQY-AVRDEDQJSA-N 2 1 387.612 3.710 20 10 GHCDMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1C(F)(F)F ZINC000873229119 891534197 /nfs/dbraw/zinc/53/41/97/891534197.db2.gz XSGKYNBBBOFONL-AEFFLSMTSA-N 2 1 380.410 3.540 20 10 GHCDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1C(F)(F)F ZINC000873229119 891534207 /nfs/dbraw/zinc/53/42/07/891534207.db2.gz XSGKYNBBBOFONL-AEFFLSMTSA-N 2 1 380.410 3.540 20 10 GHCDMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876942572 893396749 /nfs/dbraw/zinc/39/67/49/893396749.db2.gz ZQXRBYJJZOXUAB-UHFFFAOYSA-N 2 1 393.575 3.710 20 10 GHCDMP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(O)c1 ZINC000877553038 893685801 /nfs/dbraw/zinc/68/58/01/893685801.db2.gz YVKISHIGOSOJSM-JOCHJYFZSA-N 2 1 380.532 3.719 20 10 GHCDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000815561030 893999953 /nfs/dbraw/zinc/99/99/53/893999953.db2.gz WJHCCNKWWBEOMN-FQEVSTJZSA-N 2 1 381.564 3.997 20 10 GHCDMP COc1c(O)c(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)ccc1[N+](=O)[O-] ZINC000775013237 914504770 /nfs/dbraw/zinc/50/47/70/914504770.db2.gz MCFGLXNBEMPKJQ-UHFFFAOYSA-N 2 1 399.491 3.831 20 10 GHCDMP COc1cccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1O ZINC000846137695 902745225 /nfs/dbraw/zinc/74/52/25/902745225.db2.gz GAYQTMUBIJBMDU-KSZLIROESA-N 2 1 384.520 3.861 20 10 GHCDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000248397885 912054816 /nfs/dbraw/zinc/05/48/16/912054816.db2.gz IJGLISJFBDVWTK-BJLQDIEVSA-N 2 1 389.559 3.966 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCSc3ccc(F)cc3)cc2F)CC1 ZINC001116017243 933284593 /nfs/dbraw/zinc/28/45/93/933284593.db2.gz IQQZRERFNPTCNZ-UHFFFAOYSA-N 2 1 391.531 3.989 20 10 GHCDMP CC[C@@]1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)OCCc2ccccc21 ZINC001117670638 933976363 /nfs/dbraw/zinc/97/63/63/933976363.db2.gz GKAPANBALGURRP-DEOSSOPVSA-N 2 1 397.538 3.545 20 10 GHCDMP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(Br)cc(OC)c2O)CC1 ZINC001204340426 1032783737 /nfs/dbraw/zinc/78/37/37/1032783737.db2.gz QOLFIFGTFBXKBH-UHFFFAOYSA-N 2 1 385.346 3.860 20 10 GHCDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc(C)c(C)c3O)cc2)CC1 ZINC000756432945 1023646892 /nfs/dbraw/zinc/64/68/92/1023646892.db2.gz LKMIPSWZWHJAEP-FQEVSTJZSA-N 2 1 381.564 3.997 20 10 GHCDMP Oc1c(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc2c3c1CCCN3CCC2 ZINC001138336835 1024697770 /nfs/dbraw/zinc/69/77/70/1024697770.db2.gz FWPNYVZAJFHFFH-OAQYLSRUSA-N 2 1 383.580 3.931 20 10 GHCDMP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001203592080 1027456631 /nfs/dbraw/zinc/45/66/31/1027456631.db2.gz CBQPPFKJOYHRSN-IOMROCGXSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001203592080 1027456637 /nfs/dbraw/zinc/45/66/37/1027456637.db2.gz CBQPPFKJOYHRSN-IOMROCGXSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001203592080 1027456645 /nfs/dbraw/zinc/45/66/45/1027456645.db2.gz CBQPPFKJOYHRSN-IOMROCGXSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1O ZINC001203592080 1027456663 /nfs/dbraw/zinc/45/66/63/1027456663.db2.gz CBQPPFKJOYHRSN-IOMROCGXSA-N 2 1 381.520 3.528 20 10 GHCDMP C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001203656731 1027512019 /nfs/dbraw/zinc/51/20/19/1027512019.db2.gz WGBFFYRXXDSYGH-SFHVURJKSA-N 2 1 390.911 3.894 20 10 GHCDMP Cc1ccc(C[N@H+]2CCCC3(CC[NH+](Cc4cc(O)c(O)c(O)c4)CC3)C2)cc1 ZINC001233011831 1038769129 /nfs/dbraw/zinc/76/91/29/1038769129.db2.gz HATOLSBJQYVTOA-UHFFFAOYSA-N 2 1 396.531 3.990 20 10 GHCDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233453132 1039341672 /nfs/dbraw/zinc/34/16/72/1039341672.db2.gz WMFQJULFAIUHTM-QUCCMNQESA-N 2 1 398.469 3.591 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233453132 1039341679 /nfs/dbraw/zinc/34/16/79/1039341679.db2.gz WMFQJULFAIUHTM-QUCCMNQESA-N 2 1 398.469 3.591 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001233453132 1039341696 /nfs/dbraw/zinc/34/16/96/1039341696.db2.gz WMFQJULFAIUHTM-QUCCMNQESA-N 2 1 398.469 3.591 20 10 GHCDMP c1ccc([C@H]2C[NH2+]C[C@@]23CC[N@H+](Cc2cc4c5c(c2)CCCN5CCC4)C3)cc1 ZINC001235355879 1040833226 /nfs/dbraw/zinc/83/32/26/1040833226.db2.gz UXZSNJNMJUKVPJ-AOYPEHQESA-N 2 1 387.571 3.965 20 10 GHCDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235678799 1041141657 /nfs/dbraw/zinc/14/16/57/1041141657.db2.gz KYNRDVNWIVPYCD-QPPBQGQZSA-N 2 1 386.580 3.870 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235678799 1041141669 /nfs/dbraw/zinc/14/16/69/1041141669.db2.gz KYNRDVNWIVPYCD-QPPBQGQZSA-N 2 1 386.580 3.870 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235678799 1041141677 /nfs/dbraw/zinc/14/16/77/1041141677.db2.gz KYNRDVNWIVPYCD-QPPBQGQZSA-N 2 1 386.580 3.870 20 10 GHCDMP Clc1ccc(CO[C@@H]2CCC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001235708920 1041192007 /nfs/dbraw/zinc/19/20/07/1041192007.db2.gz BYFUPWPXCWMMPG-HSZRJFAPSA-N 2 1 399.966 3.931 20 10 GHCDMP FC(F)(F)c1cccc2c1CC[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236084926 1041526072 /nfs/dbraw/zinc/52/60/72/1041526072.db2.gz GUWPOVAULISXPK-UHFFFAOYSA-N 2 1 375.438 3.673 20 10 GHCDMP FC(F)(F)c1cccc2c1CC[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236084926 1041526082 /nfs/dbraw/zinc/52/60/82/1041526082.db2.gz GUWPOVAULISXPK-UHFFFAOYSA-N 2 1 375.438 3.673 20 10 GHCDMP COc1cc(O)c(C[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c(Br)c1 ZINC001236551112 1041758674 /nfs/dbraw/zinc/75/86/74/1041758674.db2.gz LVMXVDLAXZELCG-HDJSIYSDSA-N 2 1 383.330 3.645 20 10 GHCDMP C[C@H]1C[C@H](NC2CC[NH+](Cc3ccccc3O)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256532742 1043467019 /nfs/dbraw/zinc/46/70/19/1043467019.db2.gz KCFDPNGCMJTFCP-GBXCKJPGSA-N 2 1 393.575 3.999 20 10 GHCDMP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1 ZINC001319762774 1055452091 /nfs/dbraw/zinc/45/20/91/1055452091.db2.gz HZBQCJBNJMQAES-HXUWFJFHSA-N 2 1 380.580 3.741 20 10 GHCDMP Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)s1 ZINC001319822309 1055489499 /nfs/dbraw/zinc/48/94/99/1055489499.db2.gz BJPGJFDFUYZTBL-HNNXBMFYSA-N 2 1 376.545 3.844 20 10 GHCDMP Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)s1 ZINC001319822309 1055489507 /nfs/dbraw/zinc/48/95/07/1055489507.db2.gz BJPGJFDFUYZTBL-HNNXBMFYSA-N 2 1 376.545 3.844 20 10 GHCDMP CCCCCn1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)c(C)n1 ZINC001319906099 1055534538 /nfs/dbraw/zinc/53/45/38/1055534538.db2.gz OXNJVLVCFYFWCW-UHFFFAOYSA-N 2 1 387.547 3.562 20 10 GHCDMP Cc1ccc(C)n1C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001320494278 1055838409 /nfs/dbraw/zinc/83/84/09/1055838409.db2.gz PYVLSDDBYOZGCC-UHFFFAOYSA-N 2 1 384.543 3.833 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccc2c(c1)CCCO2 ZINC001350434798 1064084849 /nfs/dbraw/zinc/08/48/49/1064084849.db2.gz ZGGQCSYTBUGVFR-KRWDZBQOSA-N 2 1 383.511 3.753 20 10 GHCDMP CCc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)c(F)c1)CCO2 ZINC001474105091 1074265279 /nfs/dbraw/zinc/26/52/79/1074265279.db2.gz QDMBCCRUYUHXCA-NRFANRHFSA-N 2 1 383.511 3.753 20 10 GHCDMP C[C@H]1CCCC[N@H+]1Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC001167426741 839928664 /nfs/dbraw/zinc/92/86/64/839928664.db2.gz KVQXWIMPHAJTTG-FQEVSTJZSA-N 2 1 393.579 3.820 20 10 GHCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000766124377 857319419 /nfs/dbraw/zinc/31/94/19/857319419.db2.gz WYXWJZBAVANNHC-KWOQKUFVSA-N 2 1 381.564 3.676 20 10 GHCDMP CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000766124377 857319433 /nfs/dbraw/zinc/31/94/33/857319433.db2.gz WYXWJZBAVANNHC-KWOQKUFVSA-N 2 1 381.564 3.676 20 10 GHCDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)c1 ZINC000856560414 881440541 /nfs/dbraw/zinc/44/05/41/881440541.db2.gz LQJNRZBSNXPGGY-JOCHJYFZSA-N 2 1 399.535 3.679 20 10 GHCDMP CCOc1ccc(O)c(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)c1 ZINC000856560414 881440544 /nfs/dbraw/zinc/44/05/44/881440544.db2.gz LQJNRZBSNXPGGY-JOCHJYFZSA-N 2 1 399.535 3.679 20 10 GHCDMP CCOc1ccc(O)c(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000856560414 881440554 /nfs/dbraw/zinc/44/05/54/881440554.db2.gz LQJNRZBSNXPGGY-JOCHJYFZSA-N 2 1 399.535 3.679 20 10 GHCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C1)OCO2 ZINC000765102604 859788120 /nfs/dbraw/zinc/78/81/20/859788120.db2.gz FZWXTRSJVANYGZ-AZUAARDMSA-N 2 1 380.488 3.607 20 10 GHCDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C1)OCO2 ZINC000765102604 859788130 /nfs/dbraw/zinc/78/81/30/859788130.db2.gz FZWXTRSJVANYGZ-AZUAARDMSA-N 2 1 380.488 3.607 20 10 GHCDMP Oc1cc2c(cc1C[NH+]1CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C1)OCO2 ZINC000765102604 859788139 /nfs/dbraw/zinc/78/81/39/859788139.db2.gz FZWXTRSJVANYGZ-AZUAARDMSA-N 2 1 380.488 3.607 20 10 GHCDMP Oc1cc2c(cc1C[NH+]1CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C1)OCO2 ZINC000765102604 859788145 /nfs/dbraw/zinc/78/81/45/859788145.db2.gz FZWXTRSJVANYGZ-AZUAARDMSA-N 2 1 380.488 3.607 20 10 GHCDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000738171859 865500223 /nfs/dbraw/zinc/50/02/23/865500223.db2.gz SZEGPPYECHTHAZ-IBGZPJMESA-N 2 1 393.531 3.894 20 10 GHCDMP COc1cc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000850170249 876709823 /nfs/dbraw/zinc/70/98/23/876709823.db2.gz BOCOOZBGRKNCIC-UHFFFAOYSA-N 2 1 378.557 3.677 20 10 GHCDMP COC1CCN(c2ccc(C[N@@H+](C)Cc3ccc(C[NH+](C)C)cc3)cc2)CC1 ZINC000859212897 883665451 /nfs/dbraw/zinc/66/54/51/883665451.db2.gz OWJBXFRKBOHGET-UHFFFAOYSA-N 2 1 381.564 3.995 20 10 GHCDMP FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000163394551 885156459 /nfs/dbraw/zinc/15/64/59/885156459.db2.gz KKOBDOCIXHCZMD-UHFFFAOYSA-N 2 1 397.485 3.506 20 10 GHCDMP C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741137 887777030 /nfs/dbraw/zinc/77/70/30/887777030.db2.gz KKMWJNMXJWUIJC-HSZRJFAPSA-N 2 1 379.548 3.660 20 10 GHCDMP CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000817939185 895968611 /nfs/dbraw/zinc/96/86/11/895968611.db2.gz AHTVCKFXLQGHPE-CAUSLRQDSA-N 2 1 378.564 3.538 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]CCc3coc(-c4ccccc4)n3)cc2F)CC1 ZINC001177590632 908654621 /nfs/dbraw/zinc/65/46/21/908654621.db2.gz UXWLTSYOGHLJHX-UHFFFAOYSA-N 2 1 394.494 3.565 20 10 GHCDMP Cc1nc(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc(N2CCCC2)[nH+]1 ZINC001155628654 1032608054 /nfs/dbraw/zinc/60/80/54/1032608054.db2.gz BKEGCPOFGGHZMY-FBHSLPMESA-N 2 1 393.579 3.785 20 10 GHCDMP Cc1nc(N2CCCC2)cc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)[nH+]1 ZINC001155628654 1032608084 /nfs/dbraw/zinc/60/80/84/1032608084.db2.gz BKEGCPOFGGHZMY-FBHSLPMESA-N 2 1 393.579 3.785 20 10 GHCDMP Cc1nc(N2CCCC2)cc(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)[nH+]1 ZINC001155628654 1032608091 /nfs/dbraw/zinc/60/80/91/1032608091.db2.gz BKEGCPOFGGHZMY-FBHSLPMESA-N 2 1 393.579 3.785 20 10 GHCDMP COc1cc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cc(O)c1O ZINC001204346232 1032785373 /nfs/dbraw/zinc/78/53/73/1032785373.db2.gz HIMPKHRGPFSFHG-HXUWFJFHSA-N 2 1 386.492 3.576 20 10 GHCDMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001461006418 1069332018 /nfs/dbraw/zinc/33/20/18/1069332018.db2.gz ZQRAICFZWHGIQA-UHFFFAOYSA-N 3 1 398.570 3.709 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](c4cccc(OC)c4)C3)cc2)CC1 ZINC001140309746 1021370983 /nfs/dbraw/zinc/37/09/83/1021370983.db2.gz SODHINKWQWBKHO-JOCHJYFZSA-N 2 1 379.548 3.827 20 10 GHCDMP CCN(CC)c1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c(O)c1 ZINC001140853408 1022703898 /nfs/dbraw/zinc/70/38/98/1022703898.db2.gz WWOQJOUFPNTXKP-KDURUIRLSA-N 2 1 385.577 3.864 20 10 GHCDMP CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001140853408 1022703904 /nfs/dbraw/zinc/70/39/04/1022703904.db2.gz WWOQJOUFPNTXKP-KDURUIRLSA-N 2 1 385.577 3.864 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001140853408 1022703908 /nfs/dbraw/zinc/70/39/08/1022703908.db2.gz WWOQJOUFPNTXKP-KDURUIRLSA-N 2 1 385.577 3.864 20 10 GHCDMP CCN(CC)c1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001140853408 1022703914 /nfs/dbraw/zinc/70/39/14/1022703914.db2.gz WWOQJOUFPNTXKP-KDURUIRLSA-N 2 1 385.577 3.864 20 10 GHCDMP CCN(CC)c1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001140853408 1022703919 /nfs/dbraw/zinc/70/39/19/1022703919.db2.gz WWOQJOUFPNTXKP-KDURUIRLSA-N 2 1 385.577 3.864 20 10 GHCDMP CN1CCOc2cc(C[NH+]3CCC4(CC[C@@H]4[N@@H+](C)Cc4ccco4)CC3)ccc21 ZINC001141142402 1023574431 /nfs/dbraw/zinc/57/44/31/1023574431.db2.gz OIGJXCBCSQCQCS-QHCPKHFHSA-N 2 1 395.547 3.985 20 10 GHCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000756568809 1023715831 /nfs/dbraw/zinc/71/58/31/1023715831.db2.gz IWODPXLYXJTDPV-QGZVFWFLSA-N 2 1 398.503 3.504 20 10 GHCDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc2ccccc2c1O ZINC000756606175 1023734544 /nfs/dbraw/zinc/73/45/44/1023734544.db2.gz WDGXDMOPCPZYSB-UUOWRZLLSA-N 2 1 376.500 3.833 20 10 GHCDMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc2ccccc2c1O ZINC000756606175 1023734551 /nfs/dbraw/zinc/73/45/51/1023734551.db2.gz WDGXDMOPCPZYSB-UUOWRZLLSA-N 2 1 376.500 3.833 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc(F)cc1O ZINC000756779946 1023812992 /nfs/dbraw/zinc/81/29/92/1023812992.db2.gz OLXZJLIWVVIQFT-QGZVFWFLSA-N 2 1 383.511 3.914 20 10 GHCDMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138339537 1024701237 /nfs/dbraw/zinc/70/12/37/1024701237.db2.gz HEHLRCZNRSNPLN-SFTDATJTSA-N 2 1 383.580 3.930 20 10 GHCDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138339537 1024701247 /nfs/dbraw/zinc/70/12/47/1024701247.db2.gz HEHLRCZNRSNPLN-SFTDATJTSA-N 2 1 383.580 3.930 20 10 GHCDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138339537 1024701254 /nfs/dbraw/zinc/70/12/54/1024701254.db2.gz HEHLRCZNRSNPLN-SFTDATJTSA-N 2 1 383.580 3.930 20 10 GHCDMP C[N@@H+](Cc1ccc(Br)cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139408604 1026280196 /nfs/dbraw/zinc/28/01/96/1026280196.db2.gz APBSAQVJJYKRBC-UHFFFAOYSA-N 2 1 388.353 3.833 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC4(CCOCC4)[C@H]3c3ccccc3)cc2)CC1 ZINC000840962818 1027994404 /nfs/dbraw/zinc/99/44/04/1027994404.db2.gz JTGJOBGUMCLZFU-XMMPIXPASA-N 2 1 391.559 3.792 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(Br)c1 ZINC001222172413 1029987502 /nfs/dbraw/zinc/98/75/02/1029987502.db2.gz KPMIRPVFSAINMS-IBGZPJMESA-N 2 1 397.357 3.909 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(Br)c1 ZINC001222172413 1029987504 /nfs/dbraw/zinc/98/75/04/1029987504.db2.gz KPMIRPVFSAINMS-IBGZPJMESA-N 2 1 397.357 3.909 20 10 GHCDMP COc1cc(O)c(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(Br)c1 ZINC001222172416 1029988078 /nfs/dbraw/zinc/98/80/78/1029988078.db2.gz KPMIRPVFSAINMS-LJQANCHMSA-N 2 1 397.357 3.909 20 10 GHCDMP COc1cc(O)c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(Br)c1 ZINC001222172416 1029988082 /nfs/dbraw/zinc/98/80/82/1029988082.db2.gz KPMIRPVFSAINMS-LJQANCHMSA-N 2 1 397.357 3.909 20 10 GHCDMP Cc1cc(C)c(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(O)c1 ZINC001231844784 1034938916 /nfs/dbraw/zinc/93/89/16/1034938916.db2.gz QKGSHINTTJZXSS-UHFFFAOYSA-N 2 1 386.561 3.938 20 10 GHCDMP Cc1cc(C)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(O)c1 ZINC001231844784 1034938921 /nfs/dbraw/zinc/93/89/21/1034938921.db2.gz QKGSHINTTJZXSS-UHFFFAOYSA-N 2 1 386.561 3.938 20 10 GHCDMP COc1cc(N(C)C)ccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001231851801 1034942732 /nfs/dbraw/zinc/94/27/32/1034942732.db2.gz CNLYHTKPYJAVST-SZPZYZBQSA-N 2 1 379.548 3.633 20 10 GHCDMP COc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001231851801 1034942736 /nfs/dbraw/zinc/94/27/36/1034942736.db2.gz CNLYHTKPYJAVST-SZPZYZBQSA-N 2 1 379.548 3.633 20 10 GHCDMP COc1cc(N(C)C)ccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001231851801 1034942740 /nfs/dbraw/zinc/94/27/40/1034942740.db2.gz CNLYHTKPYJAVST-SZPZYZBQSA-N 2 1 379.548 3.633 20 10 GHCDMP COc1cc(N(C)C)ccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2C1 ZINC001231851801 1034942742 /nfs/dbraw/zinc/94/27/42/1034942742.db2.gz CNLYHTKPYJAVST-SZPZYZBQSA-N 2 1 379.548 3.633 20 10 GHCDMP CN(C)c1ccc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c(O)c1 ZINC001232841162 1038592707 /nfs/dbraw/zinc/59/27/07/1038592707.db2.gz WCYFPNSVTDBTSW-LNGMVNIQSA-N 2 1 381.564 3.853 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c(O)c1 ZINC001232841162 1038592712 /nfs/dbraw/zinc/59/27/12/1038592712.db2.gz WCYFPNSVTDBTSW-LNGMVNIQSA-N 2 1 381.564 3.853 20 10 GHCDMP CN(C)c1ccc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c(O)c1 ZINC001232841162 1038592720 /nfs/dbraw/zinc/59/27/20/1038592720.db2.gz WCYFPNSVTDBTSW-LNGMVNIQSA-N 2 1 381.564 3.853 20 10 GHCDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254043211 1039971386 /nfs/dbraw/zinc/97/13/86/1039971386.db2.gz ZJOXMOMUYWCJBZ-UHFFFAOYSA-N 2 1 381.564 3.602 20 10 GHCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001236195211 1041612054 /nfs/dbraw/zinc/61/20/54/1041612054.db2.gz YKXHAVGIUHKETB-JOCHJYFZSA-N 2 1 376.504 3.620 20 10 GHCDMP COc1cc(N(C)C)ccc1C[N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC001236381092 1041690442 /nfs/dbraw/zinc/69/04/42/1041690442.db2.gz JMEXARNTODVYJJ-UHFFFAOYSA-N 2 1 385.527 3.902 20 10 GHCDMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C2CCC2)CC1 ZINC001236571863 1041766023 /nfs/dbraw/zinc/76/60/23/1041766023.db2.gz FQIPUBRLDLMUJI-UAPYVXQJSA-N 2 1 377.960 3.801 20 10 GHCDMP CCc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c(O)c1 ZINC001236785584 1041891622 /nfs/dbraw/zinc/89/16/22/1041891622.db2.gz KZUDWFLSROJNSD-JOCHJYFZSA-N 2 1 395.547 3.605 20 10 GHCDMP CCc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(O)c1 ZINC001236786461 1041892102 /nfs/dbraw/zinc/89/21/02/1041892102.db2.gz PCHGQSCRHOIFNW-UHFFFAOYSA-N 2 1 386.561 3.883 20 10 GHCDMP CCc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c(O)c1 ZINC001236786461 1041892110 /nfs/dbraw/zinc/89/21/10/1041892110.db2.gz PCHGQSCRHOIFNW-UHFFFAOYSA-N 2 1 386.561 3.883 20 10 GHCDMP CCOc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(O)c1 ZINC001237041032 1042001958 /nfs/dbraw/zinc/00/19/58/1042001958.db2.gz OHDUSEOAKISZRL-UHFFFAOYSA-N 2 1 381.520 3.674 20 10 GHCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001237266587 1042113935 /nfs/dbraw/zinc/11/39/35/1042113935.db2.gz XJVPQERQLTXVAB-UHFFFAOYSA-N 2 1 392.330 3.667 20 10 GHCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001237266587 1042113938 /nfs/dbraw/zinc/11/39/38/1042113938.db2.gz XJVPQERQLTXVAB-UHFFFAOYSA-N 2 1 392.330 3.667 20 10 GHCDMP Oc1c(C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc2c3c1CCCN3CCC2 ZINC001237365639 1042173757 /nfs/dbraw/zinc/17/37/57/1042173757.db2.gz KQCQGLNBQFFGKR-UHFFFAOYSA-N 2 1 389.543 3.686 20 10 GHCDMP Cc1cccc(O)c1C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001237487908 1042231325 /nfs/dbraw/zinc/23/13/25/1042231325.db2.gz FZVHAOLYEWFCAT-NRFANRHFSA-N 2 1 380.532 3.956 20 10 GHCDMP Cc1cc(Cl)cc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1O ZINC001237687212 1042327362 /nfs/dbraw/zinc/32/73/62/1042327362.db2.gz WWYLEOWNHVXGSF-UHFFFAOYSA-N 2 1 388.943 3.595 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](COCc4ccccc4)C3)cc2F)CC1 ZINC001320510754 1055851413 /nfs/dbraw/zinc/85/14/13/1055851413.db2.gz YJRUIRXGCUTNDP-QFIPXVFZSA-N 2 1 397.538 3.616 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](COCc4ccccc4)C3)cc2F)CC1 ZINC001320510754 1055851423 /nfs/dbraw/zinc/85/14/23/1055851423.db2.gz YJRUIRXGCUTNDP-QFIPXVFZSA-N 2 1 397.538 3.616 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2F)CC1 ZINC001323927873 1057038338 /nfs/dbraw/zinc/03/83/38/1057038338.db2.gz HEFMBCYNRIDSEN-UHFFFAOYSA-N 2 1 386.471 3.511 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(OC4CCCCC4)CC3)cc2F)CC1 ZINC001325315772 1057311255 /nfs/dbraw/zinc/31/12/55/1057311255.db2.gz PSBOMKPHZSUTBW-UHFFFAOYSA-N 2 1 389.559 3.891 20 10 GHCDMP CCN(Cc1ccccc1)c1ccc(C[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000236964661 845066311 /nfs/dbraw/zinc/06/63/11/845066311.db2.gz QTFKLPWBBKGZFY-UHFFFAOYSA-N 2 1 381.564 3.914 20 10 GHCDMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000760897560 856395633 /nfs/dbraw/zinc/39/56/33/856395633.db2.gz NIDDZFHVRFGQEG-QGZVFWFLSA-N 2 1 379.976 3.949 20 10 GHCDMP COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)c(OC)c1 ZINC000775647655 872321701 /nfs/dbraw/zinc/32/17/01/872321701.db2.gz XGMUJSNBEZEECI-HSZRJFAPSA-N 2 1 395.547 3.793 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3[C@H](O)c3ccccc3)cc2)CC1 ZINC000775669240 872586562 /nfs/dbraw/zinc/58/65/62/872586562.db2.gz ICCBRYDCXRYGKO-DNQXCXABSA-N 2 1 379.548 3.527 20 10 GHCDMP CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775717319 873110578 /nfs/dbraw/zinc/11/05/78/873110578.db2.gz BVAQRYTVZKMDGX-UHFFFAOYSA-N 2 1 394.563 3.516 20 10 GHCDMP Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000775741409 873345853 /nfs/dbraw/zinc/34/58/53/873345853.db2.gz YMAALMRRVCJQJR-KDOFPFPSSA-N 2 1 379.342 3.912 20 10 GHCDMP Cc1cc(Br)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000775741409 873345865 /nfs/dbraw/zinc/34/58/65/873345865.db2.gz YMAALMRRVCJQJR-KDOFPFPSSA-N 2 1 379.342 3.912 20 10 GHCDMP Cc1cc(Br)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000775741409 873345877 /nfs/dbraw/zinc/34/58/77/873345877.db2.gz YMAALMRRVCJQJR-KDOFPFPSSA-N 2 1 379.342 3.912 20 10 GHCDMP Cc1cc(Br)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000775741409 873345892 /nfs/dbraw/zinc/34/58/92/873345892.db2.gz YMAALMRRVCJQJR-KDOFPFPSSA-N 2 1 379.342 3.912 20 10 GHCDMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769517140 874123883 /nfs/dbraw/zinc/12/38/83/874123883.db2.gz ZGOHQAKRIVZIFL-HXUWFJFHSA-N 2 1 386.540 3.749 20 10 GHCDMP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccc(C(F)(F)F)c1O ZINC000850483536 876957042 /nfs/dbraw/zinc/95/70/42/876957042.db2.gz QKQKUMAXYHLUNB-CQSZACIVSA-N 2 1 386.458 3.953 20 10 GHCDMP c1[nH+]c2cc(NCc3ccc(OC4COC4)cc3)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001168464254 881004554 /nfs/dbraw/zinc/00/45/54/881004554.db2.gz YMTIYZMWHSYFSY-IBGZPJMESA-N 2 1 392.503 3.741 20 10 GHCDMP CC[N@H+](CCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1)CC(C)C ZINC000809755538 887795855 /nfs/dbraw/zinc/79/58/55/887795855.db2.gz JSFZRXMCOFXCKW-UHFFFAOYSA-N 2 1 393.528 3.889 20 10 GHCDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1)CC(C)C ZINC000809755538 887795871 /nfs/dbraw/zinc/79/58/71/887795871.db2.gz JSFZRXMCOFXCKW-UHFFFAOYSA-N 2 1 393.528 3.889 20 10 GHCDMP Clc1csc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000877121873 893496577 /nfs/dbraw/zinc/49/65/77/893496577.db2.gz ZGWUOBBFRSEHRQ-UHFFFAOYSA-N 2 1 376.957 3.618 20 10 GHCDMP CN(C)c1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000815149460 893521827 /nfs/dbraw/zinc/52/18/27/893521827.db2.gz NZSHVQGIDTUEEM-HSZRJFAPSA-N 2 1 393.575 3.771 20 10 GHCDMP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c(O)c1 ZINC000877553040 893685144 /nfs/dbraw/zinc/68/51/44/893685144.db2.gz YVKISHIGOSOJSM-QFIPXVFZSA-N 2 1 380.532 3.719 20 10 GHCDMP C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778643625 897842155 /nfs/dbraw/zinc/84/21/55/897842155.db2.gz UUFBAFTWMAFLOK-REWPJTCUSA-N 2 1 379.548 3.523 20 10 GHCDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)C2)C1 ZINC000844903329 901487597 /nfs/dbraw/zinc/48/75/97/901487597.db2.gz XOACBWZLRFDHOW-PQNGQFLHSA-N 2 1 396.531 3.690 20 10 GHCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c2c1c(F)ccc2O ZINC000757640343 929755128 /nfs/dbraw/zinc/75/51/28/929755128.db2.gz RZUVCZJZOCVIEC-ZTNFWEORSA-N 2 1 384.495 3.826 20 10 GHCDMP COc1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)cc(O)c1O ZINC001204347800 1032787698 /nfs/dbraw/zinc/78/76/98/1032787698.db2.gz CDLVKDXSBRIHKJ-UHFFFAOYSA-N 2 1 388.533 3.656 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](c4ccc(OC)cc4)C3)cc2)CC1 ZINC001140305703 1021361362 /nfs/dbraw/zinc/36/13/62/1021361362.db2.gz HCIJZGJEZLHFGP-JOCHJYFZSA-N 2 1 379.548 3.827 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C3CCCC3)C3CCN(C)CC3)cc2)CC1 ZINC001140309326 1021368691 /nfs/dbraw/zinc/36/86/91/1021368691.db2.gz BJAZIWXHIMIPIS-UHFFFAOYSA-N 3 1 384.612 3.667 20 10 GHCDMP Cc1ccc(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c(O)c1 ZINC001140952517 1022981380 /nfs/dbraw/zinc/98/13/80/1022981380.db2.gz VMTHMADKTITGCR-UPVQGACJSA-N 2 1 384.564 3.661 20 10 GHCDMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c(O)c1 ZINC001140952517 1022981386 /nfs/dbraw/zinc/98/13/86/1022981386.db2.gz VMTHMADKTITGCR-UPVQGACJSA-N 2 1 384.564 3.661 20 10 GHCDMP Cc1ccc(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c(O)c1 ZINC001140952517 1022981391 /nfs/dbraw/zinc/98/13/91/1022981391.db2.gz VMTHMADKTITGCR-UPVQGACJSA-N 2 1 384.564 3.661 20 10 GHCDMP c1[nH+]c2cc(NCc3ccc4c(c3)CC[NH2+]C4)ccc2n1[C@H]1CCC[NH2+]CC1 ZINC001162807763 1025924243 /nfs/dbraw/zinc/92/42/43/1025924243.db2.gz RGCWHNLLLRPVFS-NRFANRHFSA-N 3 1 375.520 3.609 20 10 GHCDMP COc1ccc(C[C@H]2CCC[N@@H+](Cc3cc(C[NH+](C)C)c(O)c(OC)c3)C2)cc1 ZINC001139259207 1026110376 /nfs/dbraw/zinc/11/03/76/1026110376.db2.gz MUBYMLPURNRZAF-LJQANCHMSA-N 2 1 398.547 3.926 20 10 GHCDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C/C=C/c3ccc(N(C)C)cc3)c2)CCO1 ZINC001461097088 1069387931 /nfs/dbraw/zinc/38/79/31/1069387931.db2.gz BCUSDGDQRDWCKN-MUPIXQSSSA-N 2 1 379.548 3.776 20 10 GHCDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C/C=C/c3ccc(N(C)C)cc3)c2)CCO1 ZINC001461097088 1069387943 /nfs/dbraw/zinc/38/79/43/1069387943.db2.gz BCUSDGDQRDWCKN-MUPIXQSSSA-N 2 1 379.548 3.776 20 10 GHCDMP Cc1ccc(C)c(C[N@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)c1O ZINC001140181952 1026955131 /nfs/dbraw/zinc/95/51/31/1026955131.db2.gz YBALMJHOITVEFG-DHLKQENFSA-N 2 1 398.591 3.970 20 10 GHCDMP Cc1ccc(C)c(C[NH+]2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c1O ZINC001140181952 1026955135 /nfs/dbraw/zinc/95/51/35/1026955135.db2.gz YBALMJHOITVEFG-DHLKQENFSA-N 2 1 398.591 3.970 20 10 GHCDMP Cc1ccc(C)c(C[NH+]2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCC2CC2)c1O ZINC001140181952 1026955138 /nfs/dbraw/zinc/95/51/38/1026955138.db2.gz YBALMJHOITVEFG-DHLKQENFSA-N 2 1 398.591 3.970 20 10 GHCDMP COc1ccc(O)c(C[NH+]2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001203673207 1027523483 /nfs/dbraw/zinc/52/34/83/1027523483.db2.gz QYCVMNCWTRVNSQ-UHFFFAOYSA-N 2 1 396.531 3.576 20 10 GHCDMP Cc1cc(O)c(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(Cl)c1 ZINC000840918013 1027957234 /nfs/dbraw/zinc/95/72/34/1027957234.db2.gz ZWPGZHMBDHGUEQ-UHFFFAOYSA-N 2 1 394.003 3.982 20 10 GHCDMP CC(C)(C)c1cccc(C[N@@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1O ZINC001143108368 1029845666 /nfs/dbraw/zinc/84/56/66/1029845666.db2.gz NPUDEPUXHYEZFD-UHFFFAOYSA-N 2 1 396.579 3.930 20 10 GHCDMP COc1cc(Br)cc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1O ZINC001222161428 1029982790 /nfs/dbraw/zinc/98/27/90/1029982790.db2.gz ODXAAWSWIMQRBN-IBGZPJMESA-N 2 1 397.357 3.909 20 10 GHCDMP COc1cc(Br)cc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1O ZINC001222161428 1029982791 /nfs/dbraw/zinc/98/27/91/1029982791.db2.gz ODXAAWSWIMQRBN-IBGZPJMESA-N 2 1 397.357 3.909 20 10 GHCDMP CCCCN(CCCC)c1ccc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222186222 1029993615 /nfs/dbraw/zinc/99/36/15/1029993615.db2.gz ACAMNEANFXNYIA-UHFFFAOYSA-N 2 1 389.584 3.753 20 10 GHCDMP Cc1cccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1O ZINC001231592699 1034747716 /nfs/dbraw/zinc/74/77/16/1034747716.db2.gz OZWUNNSFSLOTDP-JOCHJYFZSA-N 2 1 380.532 3.956 20 10 GHCDMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(O)c1OC ZINC001461968700 1069920664 /nfs/dbraw/zinc/92/06/64/1069920664.db2.gz YPNMIUHOXIWFFP-UHFFFAOYSA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(C[N@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)c(O)c(OC)c1 ZINC001236454274 1041719513 /nfs/dbraw/zinc/71/95/13/1041719513.db2.gz JIKAKOHQQJETRI-UHFFFAOYSA-N 2 1 390.911 3.817 20 10 GHCDMP COc1cc(C[N@@H+](Cc2ccc(Cl)cc2)C2CC[NH2+]CC2)c(O)c(OC)c1 ZINC001236454274 1041719518 /nfs/dbraw/zinc/71/95/18/1041719518.db2.gz JIKAKOHQQJETRI-UHFFFAOYSA-N 2 1 390.911 3.817 20 10 GHCDMP CN1CCOc2cc(C[N@H+](Cc3ccc(Cl)cc3)C3CC[NH2+]CC3)ccc21 ZINC001236455044 1041719713 /nfs/dbraw/zinc/71/97/13/1041719713.db2.gz QLJXXJOXIVYATR-UHFFFAOYSA-N 2 1 385.939 3.923 20 10 GHCDMP CN1CCOc2cc(C[N@@H+](Cc3ccc(Cl)cc3)C3CC[NH2+]CC3)ccc21 ZINC001236455044 1041719719 /nfs/dbraw/zinc/71/97/19/1041719719.db2.gz QLJXXJOXIVYATR-UHFFFAOYSA-N 2 1 385.939 3.923 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+](Cc3ccccc3)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC001236690690 1041834034 /nfs/dbraw/zinc/83/40/34/1041834034.db2.gz UCVUXCFJOQBVPG-ALOJWSFFSA-N 3 1 392.591 3.711 20 10 GHCDMP CN1CCN(c2ccc(C[N@H+](Cc3ccccc3)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC001236690690 1041834039 /nfs/dbraw/zinc/83/40/39/1041834039.db2.gz UCVUXCFJOQBVPG-ALOJWSFFSA-N 2 1 392.591 3.711 20 10 GHCDMP CN1CCN(c2ccc(C[N@@H+](Cc3ccccc3)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC001236690690 1041834045 /nfs/dbraw/zinc/83/40/45/1041834045.db2.gz UCVUXCFJOQBVPG-ALOJWSFFSA-N 2 1 392.591 3.711 20 10 GHCDMP COC(=O)c1ccc([C@H]2CCCC[N@H+]2Cc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001237411919 1042197095 /nfs/dbraw/zinc/19/70/95/1042197095.db2.gz RBOHQHHALJNRMZ-HSZRJFAPSA-N 2 1 393.531 3.610 20 10 GHCDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1Cc1ccccc1 ZINC001256523125 1043446724 /nfs/dbraw/zinc/44/67/24/1043446724.db2.gz NCKLINWKSZIMTP-XUZZJYLKSA-N 3 1 392.591 3.581 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3[C@H](O)c3ccccc3)cc2F)CC1 ZINC001324743707 1057217091 /nfs/dbraw/zinc/21/70/91/1057217091.db2.gz DMFMMPIPTLNPPO-DNQXCXABSA-N 2 1 397.538 3.666 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3[C@H](O)c3ccccc3)cc2F)CC1 ZINC001324743707 1057217097 /nfs/dbraw/zinc/21/70/97/1057217097.db2.gz DMFMMPIPTLNPPO-DNQXCXABSA-N 2 1 397.538 3.666 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccc2c(c1)CCCO2 ZINC001350434801 1064084731 /nfs/dbraw/zinc/08/47/31/1064084731.db2.gz ZGGQCSYTBUGVFR-QGZVFWFLSA-N 2 1 383.511 3.753 20 10 GHCDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(N4CCCC4)cc3)CC2)oc1C ZINC001200086933 1065175300 /nfs/dbraw/zinc/17/53/00/1065175300.db2.gz BJNHYBRLHRYJBU-UHFFFAOYSA-N 2 1 382.552 3.893 20 10 GHCDMP COc1cc(O)c(C[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)cc1OC ZINC001474727644 1074536274 /nfs/dbraw/zinc/53/62/74/1074536274.db2.gz ISLQKEVZMRHDIV-UHFFFAOYSA-N 2 1 396.531 3.997 20 10 GHCDMP COc1ccc(N2CCC([NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000165312975 854840129 /nfs/dbraw/zinc/84/01/29/854840129.db2.gz NYUQKBQUYRSWKS-QFIPXVFZSA-N 2 1 393.575 3.818 20 10 GHCDMP COC(=O)Cc1ccc(CNc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)cc1 ZINC001168567864 856170374 /nfs/dbraw/zinc/17/03/74/856170374.db2.gz WWSOEEKMWPYCGC-HXUWFJFHSA-N 2 1 392.503 3.679 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[N@H+](Cc3ccccc3)C[C@@H]3CCCO3)cc2)CC1 ZINC000775662629 872499672 /nfs/dbraw/zinc/49/96/72/872499672.db2.gz YXXKSZNIWIPNSZ-DEOSSOPVSA-N 2 1 379.548 3.620 20 10 GHCDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(Cl)ccc3O)CC2)CC1 ZINC000769527790 874135391 /nfs/dbraw/zinc/13/53/91/874135391.db2.gz RUZAEGTZARFNSY-UHFFFAOYSA-N 2 1 379.976 3.674 20 10 GHCDMP C[C@@H](CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[N@@H+](C)Cc1ccccc1 ZINC001200942542 875429672 /nfs/dbraw/zinc/42/96/72/875429672.db2.gz UGSLNHFTDJLESL-FQEVSTJZSA-N 2 1 381.564 3.648 20 10 GHCDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)[C@H](C)C1 ZINC000850137628 876691935 /nfs/dbraw/zinc/69/19/35/876691935.db2.gz RASMCAJQKJKAEI-DYESRHJHSA-N 2 1 392.584 3.925 20 10 GHCDMP CCC[N@H+](Cc1cccc(OC)c1O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417574 912254539 /nfs/dbraw/zinc/25/45/39/912254539.db2.gz HLSDGBWUWUAMNX-UHFFFAOYSA-N 2 1 384.524 3.689 20 10 GHCDMP CCC[N@@H+](Cc1cccc(OC)c1O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417574 912254556 /nfs/dbraw/zinc/25/45/56/912254556.db2.gz HLSDGBWUWUAMNX-UHFFFAOYSA-N 2 1 384.524 3.689 20 10 GHCDMP COc1cc(O)c(C[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000180181460 878618683 /nfs/dbraw/zinc/61/86/83/878618683.db2.gz PTAMOUSCPQDQIK-FXAWDEMLSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1cc(O)c(C[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000180181460 878618689 /nfs/dbraw/zinc/61/86/89/878618689.db2.gz PTAMOUSCPQDQIK-FXAWDEMLSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1cc(O)c(C[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000180181460 878618703 /nfs/dbraw/zinc/61/87/03/878618703.db2.gz PTAMOUSCPQDQIK-FXAWDEMLSA-N 2 1 384.520 3.894 20 10 GHCDMP COc1cc(O)c(C[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000180181460 878618712 /nfs/dbraw/zinc/61/87/12/878618712.db2.gz PTAMOUSCPQDQIK-FXAWDEMLSA-N 2 1 384.520 3.894 20 10 GHCDMP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)ccc1N1CCCCC1 ZINC000853093840 878809486 /nfs/dbraw/zinc/80/94/86/878809486.db2.gz SJHSPEYBJPKAHH-HXUWFJFHSA-N 2 1 386.540 3.797 20 10 GHCDMP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1N1CCCCC1 ZINC000853093840 878809502 /nfs/dbraw/zinc/80/95/02/878809502.db2.gz SJHSPEYBJPKAHH-HXUWFJFHSA-N 2 1 386.540 3.797 20 10 GHCDMP COc1cccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1O ZINC000846137693 902745630 /nfs/dbraw/zinc/74/56/30/902745630.db2.gz GAYQTMUBIJBMDU-FGTMMUONSA-N 2 1 384.520 3.861 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000757997518 929883256 /nfs/dbraw/zinc/88/32/56/929883256.db2.gz OPGMURCKENOYQK-ZEQRLZLVSA-N 2 1 397.538 3.930 20 10 GHCDMP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(F)cc1O ZINC000796815855 932078080 /nfs/dbraw/zinc/07/80/80/932078080.db2.gz HEHDJTAIXJSFOM-OAQYLSRUSA-N 2 1 399.510 3.598 20 10 GHCDMP COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116442805 933560593 /nfs/dbraw/zinc/56/05/93/933560593.db2.gz QJXSAUWWLCTIQM-NRFANRHFSA-N 2 1 383.511 3.923 20 10 GHCDMP COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116442805 933560597 /nfs/dbraw/zinc/56/05/97/933560597.db2.gz QJXSAUWWLCTIQM-NRFANRHFSA-N 2 1 383.511 3.923 20 10 GHCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+](Cc1ccccc1)C1CCSCC1 ZINC001236268776 1032592612 /nfs/dbraw/zinc/59/26/12/1032592612.db2.gz GNKBJVILTLXIKD-UHFFFAOYSA-N 2 1 397.588 3.700 20 10 GHCDMP COc1ccc2c(C)cc(NCc3ccc(N4CC[NH+](C)CC4)cc3)[nH+]c2c1 ZINC001156657242 1033161513 /nfs/dbraw/zinc/16/15/13/1033161513.db2.gz JFDVESMNVCZLKM-UHFFFAOYSA-N 2 1 376.504 3.916 20 10 GHCDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1ccccc1Br ZINC001139404585 1026277597 /nfs/dbraw/zinc/27/75/97/1026277597.db2.gz PSJHSNSOCZOQLI-UHFFFAOYSA-N 2 1 388.353 3.833 20 10 GHCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1ccccc1Br ZINC001139404585 1026277609 /nfs/dbraw/zinc/27/76/09/1026277609.db2.gz PSJHSNSOCZOQLI-UHFFFAOYSA-N 2 1 388.353 3.833 20 10 GHCDMP COc1ccc(C[C@@H]2CCC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)cc1 ZINC001139410903 1026282535 /nfs/dbraw/zinc/28/25/35/1026282535.db2.gz LBZLRSFIBGOUHF-QHCPKHFHSA-N 2 1 393.575 3.902 20 10 GHCDMP COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001203592079 1027456355 /nfs/dbraw/zinc/45/63/55/1027456355.db2.gz CBQPPFKJOYHRSN-DZFGPLHGSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001203592079 1027456364 /nfs/dbraw/zinc/45/63/64/1027456364.db2.gz CBQPPFKJOYHRSN-DZFGPLHGSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001203592079 1027456376 /nfs/dbraw/zinc/45/63/76/1027456376.db2.gz CBQPPFKJOYHRSN-DZFGPLHGSA-N 2 1 381.520 3.528 20 10 GHCDMP COc1cccc(C[NH+]2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1O ZINC001203592079 1027456378 /nfs/dbraw/zinc/45/63/78/1027456378.db2.gz CBQPPFKJOYHRSN-DZFGPLHGSA-N 2 1 381.520 3.528 20 10 GHCDMP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1cc(F)ccc1OC ZINC001203739717 1027563555 /nfs/dbraw/zinc/56/35/55/1027563555.db2.gz ISRFVCSBPZUZFP-FQEVSTJZSA-N 2 1 389.490 3.966 20 10 GHCDMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(C(C)(C)C)c3O)CC2)C1 ZINC001143116697 1029853328 /nfs/dbraw/zinc/85/33/28/1029853328.db2.gz KBTMVXVHMHVPQT-SFHVURJKSA-N 2 1 388.552 3.539 20 10 GHCDMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(C(C)(C)C)c3O)CC2)C1 ZINC001143116697 1029853334 /nfs/dbraw/zinc/85/33/34/1029853334.db2.gz KBTMVXVHMHVPQT-SFHVURJKSA-N 2 1 388.552 3.539 20 10 GHCDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248882409 1036223497 /nfs/dbraw/zinc/22/34/97/1036223497.db2.gz ILPNTLAGCGNSCK-RBUKOAKNSA-N 2 1 379.976 3.553 20 10 GHCDMP CC(C)(C)[C@@H]1C[C@H]([NH+]2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CC[NH2+]1 ZINC001246994220 1037817420 /nfs/dbraw/zinc/81/74/20/1037817420.db2.gz JJANGGIPOHPDJD-AEFFLSMTSA-N 2 1 385.474 3.874 20 10 GHCDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233284673 1039061150 /nfs/dbraw/zinc/06/11/50/1039061150.db2.gz DCISAJWHGCRGSW-URXFXBBRSA-N 2 1 386.580 3.870 20 10 GHCDMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+](Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001233484306 1039380378 /nfs/dbraw/zinc/38/03/78/1039380378.db2.gz GBWSZHVXRBUJCN-ZTFGCOKTSA-N 2 1 388.533 3.597 20 10 GHCDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001233484306 1039380387 /nfs/dbraw/zinc/38/03/87/1039380387.db2.gz GBWSZHVXRBUJCN-ZTFGCOKTSA-N 2 1 388.533 3.597 20 10 GHCDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@H]21 ZINC001233484306 1039380405 /nfs/dbraw/zinc/38/04/05/1039380405.db2.gz GBWSZHVXRBUJCN-ZTFGCOKTSA-N 2 1 388.533 3.597 20 10 GHCDMP COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@]4(C3)COCCN(C(C)C)C4)c2c1 ZINC001234535875 1040108179 /nfs/dbraw/zinc/10/81/79/1040108179.db2.gz IELDYRICYOEQIB-DEOSSOPVSA-N 2 1 398.547 3.877 20 10 GHCDMP COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@]4(C3)COCC[NH+](C(C)C)C4)c2c1 ZINC001234535875 1040108182 /nfs/dbraw/zinc/10/81/82/1040108182.db2.gz IELDYRICYOEQIB-DEOSSOPVSA-N 2 1 398.547 3.877 20 10 GHCDMP COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@]4(C3)COCC[NH+](C(C)C)C4)c2c1 ZINC001234535875 1040108191 /nfs/dbraw/zinc/10/81/91/1040108191.db2.gz IELDYRICYOEQIB-DEOSSOPVSA-N 2 1 398.547 3.877 20 10 GHCDMP COc1ccc2ccc(O)c(C[NH+]3CCC[C@@]4(C3)COCC[N@@H+](C(C)C)C4)c2c1 ZINC001234535875 1040108199 /nfs/dbraw/zinc/10/81/99/1040108199.db2.gz IELDYRICYOEQIB-DEOSSOPVSA-N 2 1 398.547 3.877 20 10 GHCDMP Oc1ccc(OCc2ccccc2)cc1C[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235095604 1040584889 /nfs/dbraw/zinc/58/48/89/1040584889.db2.gz VHLOROJKWSSMQY-NRFANRHFSA-N 2 1 388.458 3.792 20 10 GHCDMP CCN(CC)c1ccc(C[N@H+]2CCCn3cnc(C[NH2+]C4CCC4)c3C2)cc1 ZINC001235565125 1040990733 /nfs/dbraw/zinc/99/07/33/1040990733.db2.gz JZZRMJAJTWINOE-UHFFFAOYSA-N 2 1 381.568 3.777 20 10 GHCDMP COc1ccc(C[C@H]2CCC[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001236093684 1041529386 /nfs/dbraw/zinc/52/93/86/1041529386.db2.gz XAWJMPWVAWOKBD-JOCHJYFZSA-N 2 1 379.548 3.560 20 10 GHCDMP CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236238043 1041639221 /nfs/dbraw/zinc/63/92/21/1041639221.db2.gz XWNZCWZJZKUWOG-FCEUIQTBSA-N 2 1 399.579 3.571 20 10 GHCDMP COc1ccc(Br)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1O ZINC001236375559 1041687029 /nfs/dbraw/zinc/68/70/29/1041687029.db2.gz KQEQVKJGLBONBQ-CQSZACIVSA-N 2 1 397.357 3.908 20 10 GHCDMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC2CCC2)CC1 ZINC001236542885 1041757348 /nfs/dbraw/zinc/75/73/48/1041757348.db2.gz VQTIXAKYKJAXET-MEMLXQNLSA-N 2 1 383.580 3.963 20 10 GHCDMP Fc1cccc2c1CC[C@]21CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001237189578 1042085341 /nfs/dbraw/zinc/08/53/41/1042085341.db2.gz XILXLXGGENVVGX-DEOSSOPVSA-N 2 1 379.523 3.715 20 10 GHCDMP COc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679803 1042321125 /nfs/dbraw/zinc/32/11/25/1042321125.db2.gz FFUFGHKAEKILME-XMMPIXPASA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679803 1042321131 /nfs/dbraw/zinc/32/11/31/1042321131.db2.gz FFUFGHKAEKILME-XMMPIXPASA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679803 1042321133 /nfs/dbraw/zinc/32/11/33/1042321133.db2.gz FFUFGHKAEKILME-XMMPIXPASA-N 2 1 396.531 3.898 20 10 GHCDMP COc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(O)c(OC)c1 ZINC001237679803 1042321141 /nfs/dbraw/zinc/32/11/41/1042321141.db2.gz FFUFGHKAEKILME-XMMPIXPASA-N 2 1 396.531 3.898 20 10 GHCDMP CCN1CC[NH+](Cc2ccc(C[NH2+]C/C=C/c3ccc(N(C)C)cc3)cc2)CC1 ZINC001473935672 1074210768 /nfs/dbraw/zinc/21/07/68/1074210768.db2.gz BUTXZNIOKISUKD-AATRIKPKSA-N 2 1 392.591 3.693 20 10 GHCDMP CC[N@H+](CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC001474200531 1074291550 /nfs/dbraw/zinc/29/15/50/1074291550.db2.gz OQDNHWDOTAZZKD-UHFFFAOYSA-N 2 1 377.548 3.797 20 10 GHCDMP CC[N@@H+](CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC001474200531 1074291555 /nfs/dbraw/zinc/29/15/55/1074291555.db2.gz OQDNHWDOTAZZKD-UHFFFAOYSA-N 2 1 377.548 3.797 20 10 GHCDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(O)cc(C)cc3Cl)C2)ccn1 ZINC000856550488 881365532 /nfs/dbraw/zinc/36/55/32/881365532.db2.gz ZTCDPYZUVACLNE-SFHVURJKSA-N 2 1 389.927 3.854 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3c(O)cc(C)cc3Cl)C2)ccn1 ZINC000856550488 881365548 /nfs/dbraw/zinc/36/55/48/881365548.db2.gz ZTCDPYZUVACLNE-SFHVURJKSA-N 2 1 389.927 3.854 20 10 GHCDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3c(O)cc(C)cc3Cl)C2)ccn1 ZINC000856550488 881365568 /nfs/dbraw/zinc/36/55/68/881365568.db2.gz ZTCDPYZUVACLNE-SFHVURJKSA-N 2 1 389.927 3.854 20 10 GHCDMP Oc1cc2c(cc1C[N@@H+]1CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C1)OCO2 ZINC000765103491 859789397 /nfs/dbraw/zinc/78/93/97/859789397.db2.gz FZWXTRSJVANYGZ-QUCCMNQESA-N 2 1 380.488 3.607 20 10 GHCDMP Oc1cc2c(cc1C[N@H+]1CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C1)OCO2 ZINC000765103491 859789403 /nfs/dbraw/zinc/78/94/03/859789403.db2.gz FZWXTRSJVANYGZ-QUCCMNQESA-N 2 1 380.488 3.607 20 10 GHCDMP Oc1cc2c(cc1C[NH+]1CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C1)OCO2 ZINC000765103491 859789410 /nfs/dbraw/zinc/78/94/10/859789410.db2.gz FZWXTRSJVANYGZ-QUCCMNQESA-N 2 1 380.488 3.607 20 10 GHCDMP Oc1cc2c(cc1C[NH+]1CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C1)OCO2 ZINC000765103491 859789417 /nfs/dbraw/zinc/78/94/17/859789417.db2.gz FZWXTRSJVANYGZ-QUCCMNQESA-N 2 1 380.488 3.607 20 10 GHCDMP Oc1c(Br)cccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904477457 860469886 /nfs/dbraw/zinc/46/98/86/860469886.db2.gz XGAPBYCOKVXLRP-VQIMIIECSA-N 2 1 389.293 3.500 20 10 GHCDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H](C)O1 ZINC000792936153 881826669 /nfs/dbraw/zinc/82/66/69/881826669.db2.gz MNOFXMNQZHWJGR-IYBDPMFKSA-N 2 1 387.490 3.750 20 10 GHCDMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000793008983 881874286 /nfs/dbraw/zinc/87/42/86/881874286.db2.gz PGLDCDGVQAILFK-UHFFFAOYSA-N 2 1 387.490 3.750 20 10 GHCDMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000185207945 865744609 /nfs/dbraw/zinc/74/46/09/865744609.db2.gz ZBGUXFHBBYUOGM-INIZCTEOSA-N 2 1 376.451 3.508 20 10 GHCDMP COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1OC ZINC000775648076 872272939 /nfs/dbraw/zinc/27/29/39/872272939.db2.gz PSJUZDUPQKXXRR-QFIPXVFZSA-N 2 1 395.547 3.793 20 10 GHCDMP CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(N3CC[NH+](C)CC3)cc1)CCC2 ZINC000775725702 873187133 /nfs/dbraw/zinc/18/71/33/873187133.db2.gz LXQFQTUKEYTSCY-FQEVSTJZSA-N 2 1 384.593 3.967 20 10 GHCDMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000769528340 874135077 /nfs/dbraw/zinc/13/50/77/874135077.db2.gz VRIJLFZNJHHUGP-AUSIDOKSSA-N 2 1 379.548 3.517 20 10 GHCDMP C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850567475 877034731 /nfs/dbraw/zinc/03/47/31/877034731.db2.gz CXBIABSSHDDDAL-NFBKMPQASA-N 2 1 393.575 3.648 20 10 GHCDMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1C(F)(F)F ZINC000873229120 891534527 /nfs/dbraw/zinc/53/45/27/891534527.db2.gz XSGKYNBBBOFONL-FUHWJXTLSA-N 2 1 380.410 3.540 20 10 GHCDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1C(F)(F)F ZINC000873229120 891534530 /nfs/dbraw/zinc/53/45/30/891534530.db2.gz XSGKYNBBBOFONL-FUHWJXTLSA-N 2 1 380.410 3.540 20 10 GHCDMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1O ZINC000815646711 894093339 /nfs/dbraw/zinc/09/33/39/894093339.db2.gz QEAQSOJKLFXGRH-PZJWPPBQSA-N 2 1 380.532 3.972 20 10 GHCDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccc(OC)c3O)CC2)cs1 ZINC000846143311 902749785 /nfs/dbraw/zinc/74/97/85/902749785.db2.gz DTDWFJWSMWRTIW-OAHLLOKOSA-N 2 1 389.565 3.983 20 10 GHCDMP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001172960669 906070546 /nfs/dbraw/zinc/07/05/46/906070546.db2.gz XGMJRHYCWCPWJD-KRWDZBQOSA-N 2 1 391.556 3.592 20 10 GHCDMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000796747274 932052079 /nfs/dbraw/zinc/05/20/79/932052079.db2.gz UUHFZGKEPGLOPE-UFYCRDLUSA-N 2 1 379.495 3.719 20 10 GHCDMP COc1ccc(C(C)(C)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC001116013659 933282588 /nfs/dbraw/zinc/28/25/88/933282588.db2.gz LJKRNOYLNJMHAA-UHFFFAOYSA-N 2 1 385.527 3.654 20 10 GHCDMP COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116442806 933560884 /nfs/dbraw/zinc/56/08/84/933560884.db2.gz QJXSAUWWLCTIQM-OAQYLSRUSA-N 2 1 383.511 3.923 20 10 GHCDMP COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116442806 933560891 /nfs/dbraw/zinc/56/08/91/933560891.db2.gz QJXSAUWWLCTIQM-OAQYLSRUSA-N 2 1 383.511 3.923 20 10 GHCDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](Oc4cc(C)ccn4)C3)cc2)CC1 ZINC001140309592 1021369981 /nfs/dbraw/zinc/36/99/81/1021369981.db2.gz MYCPVUZQZRNEMQ-QHCPKHFHSA-N 2 1 394.563 3.575 20 10 GHCDMP C[C@@H]1C[C@@H]([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c2c1c(F)ccc2O ZINC000756531976 1023700871 /nfs/dbraw/zinc/70/08/71/1023700871.db2.gz BWZQYIZBHUHSCD-AHRSYUTCSA-N 2 1 383.511 3.658 20 10 GHCDMP C[C@@H]1C[C@H]([NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c2c1c(F)ccc2O ZINC000756531977 1023701200 /nfs/dbraw/zinc/70/12/00/1023701200.db2.gz BWZQYIZBHUHSCD-LSTHTHJFSA-N 2 1 383.511 3.658 20 10 GHCDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1c3ccccc3n(C)c1C)C2 ZINC001138255322 1024478614 /nfs/dbraw/zinc/47/86/14/1024478614.db2.gz BXOSPJRKBZWTBG-YKSBVNFPSA-N 2 1 381.564 3.667 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1c3ccccc3n(C)c1C)C2 ZINC001138255322 1024478631 /nfs/dbraw/zinc/47/86/31/1024478631.db2.gz BXOSPJRKBZWTBG-YKSBVNFPSA-N 2 1 381.564 3.667 20 10 GHCDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1c3ccccc3n(C)c1C)C2 ZINC001138255322 1024478644 /nfs/dbraw/zinc/47/86/44/1024478644.db2.gz BXOSPJRKBZWTBG-YKSBVNFPSA-N 2 1 381.564 3.667 20 10 GHCDMP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(OC)cc2O)CC3)c1 ZINC001203623446 1027485808 /nfs/dbraw/zinc/48/58/08/1027485808.db2.gz QYDBMIOFTQZDCV-UHFFFAOYSA-N 2 1 396.531 3.898 20 10 GHCDMP Oc1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC001222148978 1029979327 /nfs/dbraw/zinc/97/93/27/1029979327.db2.gz SWTKUHRWODZGLJ-LJQANCHMSA-N 2 1 375.310 3.883 20 10 GHCDMP COc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)cc1O ZINC001231639514 1034796885 /nfs/dbraw/zinc/79/68/85/1034796885.db2.gz RPJGJXLMMOTGRB-QHCPKHFHSA-N 2 1 382.504 3.595 20 10 GHCDMP COc1cc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c(O)cc1O ZINC001231639514 1034796900 /nfs/dbraw/zinc/79/69/00/1034796900.db2.gz RPJGJXLMMOTGRB-QHCPKHFHSA-N 2 1 382.504 3.595 20 10 GHCDMP COc1cc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(O)cc1O ZINC001231639514 1034796915 /nfs/dbraw/zinc/79/69/15/1034796915.db2.gz RPJGJXLMMOTGRB-QHCPKHFHSA-N 2 1 382.504 3.595 20 10 GHCDMP COc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c(O)cc1O ZINC001231639514 1034796924 /nfs/dbraw/zinc/79/69/24/1034796924.db2.gz RPJGJXLMMOTGRB-QHCPKHFHSA-N 2 1 382.504 3.595 20 10 GHCDMP COc1cc(C[N@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)c(O)cc1O ZINC001231639076 1034797468 /nfs/dbraw/zinc/79/74/68/1034797468.db2.gz LIGRHVIZKRBJEZ-OSJYTEGDSA-N 2 1 384.520 3.501 20 10 GHCDMP COc1cc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)c(O)cc1O ZINC001231639076 1034797482 /nfs/dbraw/zinc/79/74/82/1034797482.db2.gz LIGRHVIZKRBJEZ-OSJYTEGDSA-N 2 1 384.520 3.501 20 10 GHCDMP COc1cc(C[NH+]2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c(O)cc1O ZINC001231639076 1034797491 /nfs/dbraw/zinc/79/74/91/1034797491.db2.gz LIGRHVIZKRBJEZ-OSJYTEGDSA-N 2 1 384.520 3.501 20 10 GHCDMP CCOC(=O)c1c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2ccccc2n1C ZINC001235427126 1040929090 /nfs/dbraw/zinc/92/90/90/1040929090.db2.gz MYJWHBRNGOSSPQ-ROUUACIJSA-N 2 1 383.536 3.567 20 10 GHCDMP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@H]1c1ccc(Cl)s1 ZINC001235839728 1041365070 /nfs/dbraw/zinc/36/50/70/1041365070.db2.gz WHWLVRUBUIWSHB-INIZCTEOSA-N 2 1 377.941 3.854 20 10 GHCDMP CC(C)(C)C[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)C1CC[NH2+]CC1 ZINC001236457214 1041720614 /nfs/dbraw/zinc/72/06/14/1041720614.db2.gz KSYFOLSGEYNXDO-UHFFFAOYSA-N 2 1 379.976 3.777 20 10 GHCDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237642476 1042300722 /nfs/dbraw/zinc/30/07/22/1042300722.db2.gz CBVDCRTYYMFZRB-UHFFFAOYSA-N 2 1 388.483 3.515 20 10 GHCDMP Oc1ccc2ccc(O)c(C[N@H+]3CC[C@@H](CF)C3)c2c1C[NH+]1CC[C@@H](CF)C1 ZINC001262053107 1046170096 /nfs/dbraw/zinc/17/00/96/1046170096.db2.gz PUROEUQPDZBGNZ-HOTGVXAUSA-N 2 1 390.474 3.834 20 10 GHCDMP CCN(CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccccc1C ZINC001308205095 1049911916 /nfs/dbraw/zinc/91/19/16/1049911916.db2.gz QEWDCJISARSFNK-UHFFFAOYSA-N 2 1 384.543 3.502 20 10 GHCDMP COC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccc(Cl)cc1 ZINC001339330927 1050016800 /nfs/dbraw/zinc/01/68/00/1050016800.db2.gz ROVISFISIHUDHY-FQEVSTJZSA-N 2 1 391.918 3.708 20 10 GHCDMP COCC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)CC1CC[NH+](C)CC1 ZINC001474660405 1054225182 /nfs/dbraw/zinc/22/51/82/1054225182.db2.gz LNXYQKABZRCHQG-UHFFFAOYSA-N 2 1 398.547 3.761 20 10 GHCDMP C[C@H](Cc1ccccc1Cl)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318368475 1054592392 /nfs/dbraw/zinc/59/23/92/1054592392.db2.gz UCFPHIVIJNNUSO-MRXNPFEDSA-N 2 1 375.919 3.952 20 10 GHCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCOc4ccc(F)cc43)cc2F)CC1 ZINC001323470622 1056974557 /nfs/dbraw/zinc/97/45/57/1056974557.db2.gz GARULKDZTVTAHO-FQEVSTJZSA-N 2 1 387.474 3.720 20 10 GHCDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC001200820545 1056988709 /nfs/dbraw/zinc/98/87/09/1056988709.db2.gz IOFLPOCBQXBGOI-WMZHIEFXSA-N 2 1 397.538 3.663 20 10 GHCDMP C[C@@H](CCOCc1ccccc1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323677276 1056998677 /nfs/dbraw/zinc/99/86/77/1056998677.db2.gz LLDMCOPEMKAORW-IBGZPJMESA-N 2 1 385.527 3.663 20 10 GHCDMP CCCC[NH+](C)C[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC001450605367 1060631185 /nfs/dbraw/zinc/63/11/85/1060631185.db2.gz IWIVKVPEBBDMRP-LJQANCHMSA-N 2 1 398.595 3.644 20 10 GHCDMP CCCC[NH+](C)C[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC001450605367 1060631191 /nfs/dbraw/zinc/63/11/91/1060631191.db2.gz IWIVKVPEBBDMRP-LJQANCHMSA-N 2 1 398.595 3.644 20 10 GHCDMP