smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]([NH2+]Cc1cc(Br)c(OC)c(OC)c1)c1ccccc1[O-] ZINC000121097123 823117892 /nfs/dbraw/zinc/11/78/92/823117892.db2.gz BWORTGZSERGYSE-HNNXBMFYSA-N 0 3 380.282 4.413 20 10 GICDHN CC(=O)Nc1cccc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000121631608 823219415 /nfs/dbraw/zinc/21/94/15/823219415.db2.gz FEFRCMOGGSCADH-JKSUJKDBSA-N 0 3 385.483 4.033 20 10 GICDHN Cc1cccnc1NC(=O)C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000057088603 823248416 /nfs/dbraw/zinc/24/84/16/823248416.db2.gz MOVLIJDUUCADHG-UHFFFAOYSA-N 0 3 375.472 4.100 20 10 GICDHN CC(=O)c1cc(Cl)cc(CN2CCC(C(=O)Nc3ccccc3)CC2)c1O ZINC000177246904 823408992 /nfs/dbraw/zinc/40/89/92/823408992.db2.gz UGHPRICJSSYUIM-UHFFFAOYSA-N 0 3 386.879 4.099 20 10 GICDHN COc1ccc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1Cl ZINC000181383155 821798163 /nfs/dbraw/zinc/79/81/63/821798163.db2.gz MGWSEHYTHDZEME-CQSZACIVSA-N 0 3 378.875 4.175 20 10 GICDHN CN(C)Cc1cccc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000047505694 822585136 /nfs/dbraw/zinc/58/51/36/822585136.db2.gz BIFYAYJSNBKCOG-UHFFFAOYSA-N 0 3 379.460 4.281 20 10 GICDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000184887795 822707630 /nfs/dbraw/zinc/70/76/30/822707630.db2.gz UNANKJFGKNHWPO-IRXDYDNUSA-N 0 3 390.549 4.143 20 10 GICDHN C[C@H](NCc1n[nH]c(COc2ccccc2)n1)c1ccc(N2CCCCC2)cc1 ZINC000186432130 822894038 /nfs/dbraw/zinc/89/40/38/822894038.db2.gz MHXZRKMXFNBPGO-SFHVURJKSA-N 0 3 391.519 4.225 20 10 GICDHN C[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1ccc(N2CCCCC2)cc1 ZINC000125665659 823694831 /nfs/dbraw/zinc/69/48/31/823694831.db2.gz OLJCAZJLMPQFNP-SFHVURJKSA-N 0 3 386.561 4.072 20 10 GICDHN Fc1ccc2c(c1)CC[C@H]2NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163391710 823705861 /nfs/dbraw/zinc/70/58/61/823705861.db2.gz KOPYQTHXKCUTAT-HXUWFJFHSA-N 0 3 394.412 4.458 20 10 GICDHN COc1cc(Br)cc(C[NH2+]C(C)(C)c2ccc(F)c(F)c2)c1[O-] ZINC000175988715 823089828 /nfs/dbraw/zinc/08/98/28/823089828.db2.gz YIQYDJWPAFGCPM-UHFFFAOYSA-N 0 3 386.236 4.466 20 10 GICDHN CN(C)c1ccc(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC000017318035 818509239 /nfs/dbraw/zinc/50/92/39/818509239.db2.gz RWKUYINGXAVKQV-UHFFFAOYSA-N 0 3 397.526 4.349 20 10 GICDHN COc1cc(CNCc2ccc(N(C)C)cc2)ccc1OCc1ccncc1 ZINC000030545864 820637920 /nfs/dbraw/zinc/63/79/20/820637920.db2.gz HQPUEYSZCACZMU-UHFFFAOYSA-N 0 3 377.488 4.025 20 10 GICDHN CCN(Cc1ccccc1)c1ccc(CNCc2ccc(C(=O)NC)cc2)cc1 ZINC000030671560 820662655 /nfs/dbraw/zinc/66/26/55/820662655.db2.gz CVRDRZUQORZGIC-UHFFFAOYSA-N 0 3 387.527 4.363 20 10 GICDHN OCC1CCN(c2ccc(CN[C@@H]3CCCOc4cc(F)ccc43)cc2)CC1 ZINC000181989688 822055307 /nfs/dbraw/zinc/05/53/07/822055307.db2.gz GZTIOXNIOUEINC-JOCHJYFZSA-N 0 3 384.495 4.038 20 10 GICDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccccc2SC(F)F)c1 ZINC000182337341 822207127 /nfs/dbraw/zinc/20/71/27/822207127.db2.gz IROACLLDAQETBM-NSHDSACASA-N 0 3 382.432 4.005 20 10 GICDHN CC[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(C)ccc1OC ZINC000179405551 822478206 /nfs/dbraw/zinc/47/82/06/822478206.db2.gz CKVFQLZFWLTHLX-OAQYLSRUSA-N 0 3 386.511 4.345 20 10 GICDHN C[C@H](N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1O ZINC000183536887 822491771 /nfs/dbraw/zinc/49/17/71/822491771.db2.gz QDYZGAWMMUFIDX-AOMKIAJQSA-N 0 3 381.497 4.236 20 10 GICDHN COc1cc(Cl)cc(CNC2(c3ccc(F)cc3F)CCOCC2)c1O ZINC000184710756 822680313 /nfs/dbraw/zinc/68/03/13/822680313.db2.gz QINVNRKZYVERGC-UHFFFAOYSA-N 0 3 383.822 4.128 20 10 GICDHN CC[C@@H](NCc1ccc(OC)c(C)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000048750518 822681384 /nfs/dbraw/zinc/68/13/84/822681384.db2.gz IBGDDFJHYZCKCX-OAQYLSRUSA-N 0 3 396.531 4.246 20 10 GICDHN COc1cc([C@H](C)[NH2+]Cc2cc(F)ccc2[O-])ccc1OCc1ccncc1 ZINC000180487630 822689882 /nfs/dbraw/zinc/68/98/82/822689882.db2.gz DSVOWENPLJKKIZ-HNNXBMFYSA-N 0 3 382.435 4.365 20 10 GICDHN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(F)ccc1[O-] ZINC000185060614 822730874 /nfs/dbraw/zinc/73/08/74/822730874.db2.gz GOCOEKDVQZPZBJ-ZDUSSCGKSA-N 0 3 398.400 4.238 20 10 GICDHN CC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])c2ccc(F)cc2C1 ZINC000185604046 822801199 /nfs/dbraw/zinc/80/11/99/822801199.db2.gz UMKLUTYGAQKFJF-IBGZPJMESA-N 0 3 376.859 4.076 20 10 GICDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000167785473 823895110 /nfs/dbraw/zinc/89/51/10/823895110.db2.gz ZYZIXVGESWUGPE-DLBZAZTESA-N 0 3 385.527 4.265 20 10 GICDHN CCN(CC)c1ccc(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000171050160 824047891 /nfs/dbraw/zinc/04/78/91/824047891.db2.gz CSRQNKBSICLOAW-UHFFFAOYSA-N 0 3 393.491 4.131 20 10 GICDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1[O-] ZINC000187379934 823052790 /nfs/dbraw/zinc/05/27/90/823052790.db2.gz KRDFVIWGZCSRRB-RVSPLBMKSA-N 0 3 386.355 4.168 20 10 GICDHN CCSc1cc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)ccn1 ZINC000187795339 823134822 /nfs/dbraw/zinc/13/48/22/823134822.db2.gz PPOXSWDWDNTMND-OAHLLOKOSA-N 0 3 375.513 4.020 20 10 GICDHN CN(C)c1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 ZINC000026316527 820082048 /nfs/dbraw/zinc/08/20/48/820082048.db2.gz DYQSKXCSSBPOQI-UHFFFAOYSA-N 0 3 383.499 4.290 20 10 GICDHN COc1cc(O)c(CN(Cc2ccccc2)C[C@@H](O)c2ccsc2)cc1OC ZINC000180711117 821410238 /nfs/dbraw/zinc/41/02/38/821410238.db2.gz ZUFARMPWUBUBBJ-HXUWFJFHSA-N 0 3 399.512 4.207 20 10 GICDHN C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000181527739 821867388 /nfs/dbraw/zinc/86/73/88/821867388.db2.gz UZRMFBKONZTDGG-HNNXBMFYSA-N 0 3 389.421 4.264 20 10 GICDHN Cn1cc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c(-c2cccs2)n1 ZINC000183513516 822488382 /nfs/dbraw/zinc/48/83/82/822488382.db2.gz WSLIKFHPYTUCBW-SFHVURJKSA-N 0 3 383.517 4.035 20 10 GICDHN Cn1cc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c(-c2cccs2)n1 ZINC000183513516 822488385 /nfs/dbraw/zinc/48/83/85/822488385.db2.gz WSLIKFHPYTUCBW-SFHVURJKSA-N 0 3 383.517 4.035 20 10 GICDHN COC(=O)COc1ccccc1[C@@H](C)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000183566441 822495836 /nfs/dbraw/zinc/49/58/36/822495836.db2.gz IMZBQBWCQXJVBR-LJQANCHMSA-N 0 3 396.531 4.326 20 10 GICDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000184887777 822707624 /nfs/dbraw/zinc/70/76/24/822707624.db2.gz UNANKJFGKNHWPO-SJORKVTESA-N 0 3 390.549 4.143 20 10 GICDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000184887834 822707639 /nfs/dbraw/zinc/70/76/39/822707639.db2.gz UNANKJFGKNHWPO-DLBZAZTESA-N 0 3 390.549 4.143 20 10 GICDHN CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185362594 822771885 /nfs/dbraw/zinc/77/18/85/822771885.db2.gz JBOFGTDCWJUKPS-CVEARBPZSA-N 0 3 389.490 4.224 20 10 GICDHN CN(C)Cc1c2ccccc2oc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174513449 822799518 /nfs/dbraw/zinc/79/95/18/822799518.db2.gz GDGPAZNTANCXBQ-UHFFFAOYSA-N 0 3 378.472 4.009 20 10 GICDHN O=[N+]([O-])c1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cs1 ZINC000174621297 822813580 /nfs/dbraw/zinc/81/35/80/822813580.db2.gz USMHNDSFDWURRW-ZDUSSCGKSA-N 0 3 383.420 4.016 20 10 GICDHN CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000186101401 822851831 /nfs/dbraw/zinc/85/18/31/822851831.db2.gz GBRHHEXGHRYTQT-HOTGVXAUSA-N 0 3 388.483 4.238 20 10 GICDHN Cc1nn(C)c(OCC(F)(F)F)c1CN(Cc1ccccc1O)C1CCCC1 ZINC000124088655 823566658 /nfs/dbraw/zinc/56/66/58/823566658.db2.gz FKNHDJXBPVYACL-UHFFFAOYSA-N 0 3 397.441 4.320 20 10 GICDHN O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000126042839 823773300 /nfs/dbraw/zinc/77/33/00/823773300.db2.gz HCZUPZLFOQCMDM-UHFFFAOYSA-N 0 3 378.447 4.033 20 10 GICDHN O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000126042839 823773307 /nfs/dbraw/zinc/77/33/07/823773307.db2.gz HCZUPZLFOQCMDM-UHFFFAOYSA-N 0 3 378.447 4.033 20 10 GICDHN CSc1ccc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1F ZINC000165179150 823838018 /nfs/dbraw/zinc/83/80/18/823838018.db2.gz KSMXLAPIXZOXKK-AWEZNQCLSA-N 0 3 378.488 4.374 20 10 GICDHN Cc1cc(Cl)cc2c1OCCC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000122014313 823293400 /nfs/dbraw/zinc/29/34/00/823293400.db2.gz ANQHYRWQGJCJAP-NRFANRHFSA-N 0 3 386.923 4.489 20 10 GICDHN CCN(CC)[C@H](CNC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccsc1 ZINC000031986546 820884746 /nfs/dbraw/zinc/88/47/46/820884746.db2.gz PFTZSWFRTNEHRK-GOSISDBHSA-N 0 3 396.516 4.125 20 10 GICDHN C[C@@H](NCc1cccc(Br)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178163420 822338095 /nfs/dbraw/zinc/33/80/95/822338095.db2.gz ZADWOODXMGWEJP-CQSZACIVSA-N 0 3 393.300 4.276 20 10 GICDHN C[C@@H](N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1O ZINC000183536903 822491720 /nfs/dbraw/zinc/49/17/20/822491720.db2.gz QDYZGAWMMUFIDX-ZHRRBRCNSA-N 0 3 381.497 4.236 20 10 GICDHN C[S@@](=O)C[C@H](NCc1ccc(OCc2ccccc2)cc1O)c1ccccc1 ZINC000184938470 822715796 /nfs/dbraw/zinc/71/57/96/822715796.db2.gz RBGQAAWHSHHDJX-RBISFHTESA-N 0 3 395.524 4.181 20 10 GICDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c([O-])c1 ZINC000185024801 822726680 /nfs/dbraw/zinc/72/66/80/822726680.db2.gz BYWUHSMJLPMXHZ-CQSZACIVSA-N 0 3 379.426 4.434 20 10 GICDHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c([O-])c1 ZINC000185060584 822730849 /nfs/dbraw/zinc/73/08/49/822730849.db2.gz BZBXPZRXPBIIIX-HNNXBMFYSA-N 0 3 394.437 4.407 20 10 GICDHN COc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000163410130 823707089 /nfs/dbraw/zinc/70/70/89/823707089.db2.gz UTMCJTHFSWPJML-OAHLLOKOSA-N 0 3 394.437 4.401 20 10 GICDHN COc1ccc2c(c1)[C@H](NCc1ccc(N3CCSCC3)cc1)CCCO2 ZINC000163579160 823724542 /nfs/dbraw/zinc/72/45/42/823724542.db2.gz JFVGDBPMCPFXMC-OAQYLSRUSA-N 0 3 384.545 4.252 20 10 GICDHN Cc1nccn1-c1ccc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)cn1 ZINC000126297556 823833486 /nfs/dbraw/zinc/83/34/86/823833486.db2.gz OBACMSKJWPJFRI-SFHVURJKSA-N 0 3 375.520 4.417 20 10 GICDHN Cc1cc(C(=O)NC2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)c(C)o1 ZINC000171045324 824046486 /nfs/dbraw/zinc/04/64/86/824046486.db2.gz VXCSCPYGEBHAKT-UHFFFAOYSA-N 0 3 378.472 4.150 20 10 GICDHN COc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)ccc1OC(F)F ZINC000176798894 823295429 /nfs/dbraw/zinc/29/54/29/823295429.db2.gz BFASABSIENIZQT-KRWDZBQOSA-N 0 3 393.430 4.183 20 10 GICDHN COc1cc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)ccc1OC(F)F ZINC000176798894 823295436 /nfs/dbraw/zinc/29/54/36/823295436.db2.gz BFASABSIENIZQT-KRWDZBQOSA-N 0 3 393.430 4.183 20 10 GICDHN COc1cc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1OC(F)F ZINC000176798894 823295444 /nfs/dbraw/zinc/29/54/44/823295444.db2.gz BFASABSIENIZQT-KRWDZBQOSA-N 0 3 393.430 4.183 20 10 GICDHN CC[C@H](N[C@H](CO)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000181395722 821805436 /nfs/dbraw/zinc/80/54/36/821805436.db2.gz SURTUGKNLAWEEA-RBUKOAKNSA-N 0 3 377.326 4.289 20 10 GICDHN COc1ccc(O)c([C@@H](C)NCC(=O)N[C@@H](c2cccs2)C(C)(C)C)c1 ZINC000182436606 822242312 /nfs/dbraw/zinc/24/23/12/822242312.db2.gz PGOIBYCHJIWRRD-YJYMSZOUSA-N 0 3 376.522 4.017 20 10 GICDHN Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)n1 ZINC000183002777 822409109 /nfs/dbraw/zinc/40/91/09/822409109.db2.gz XEQBJBLGQSQNEG-LJQANCHMSA-N 0 3 379.460 4.042 20 10 GICDHN Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)n1 ZINC000183002777 822409111 /nfs/dbraw/zinc/40/91/11/822409111.db2.gz XEQBJBLGQSQNEG-LJQANCHMSA-N 0 3 379.460 4.042 20 10 GICDHN C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1n1ccnc1 ZINC000183124572 822427501 /nfs/dbraw/zinc/42/75/01/822427501.db2.gz KFVCXXLIHXJGPE-GCJKJVERSA-N 0 3 377.488 4.251 20 10 GICDHN C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1n1ccnc1 ZINC000183124572 822427504 /nfs/dbraw/zinc/42/75/04/822427504.db2.gz KFVCXXLIHXJGPE-GCJKJVERSA-N 0 3 377.488 4.251 20 10 GICDHN CCOCc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)ccc1OC ZINC000179569969 822505201 /nfs/dbraw/zinc/50/52/01/822505201.db2.gz ASAXSZIFXYFCIM-NRFANRHFSA-N 0 3 385.504 4.119 20 10 GICDHN CCOCc1cc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)ccc1OC ZINC000179569969 822505204 /nfs/dbraw/zinc/50/52/04/822505204.db2.gz ASAXSZIFXYFCIM-NRFANRHFSA-N 0 3 385.504 4.119 20 10 GICDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000184887816 822707601 /nfs/dbraw/zinc/70/76/01/822707601.db2.gz UNANKJFGKNHWPO-IAGOWNOFSA-N 0 3 390.549 4.143 20 10 GICDHN COc1cc(Br)c(CNCc2cc(C)c(C)cc2O)cc1OC ZINC000174357085 822777106 /nfs/dbraw/zinc/77/71/06/822777106.db2.gz KCMVRWNVIPZPFB-UHFFFAOYSA-N 0 3 380.282 4.079 20 10 GICDHN CC1(C)OCc2cc(C[N@@H+](Cc3ccccc3[O-])C[C@@H]3CCCO3)ccc2O1 ZINC000186250019 822864934 /nfs/dbraw/zinc/86/49/34/822864934.db2.gz QHXOZWUBOYVMGY-FQEVSTJZSA-N 0 3 383.488 4.219 20 10 GICDHN CC1(C)OCc2cc(C[N@H+](Cc3ccccc3[O-])C[C@@H]3CCCO3)ccc2O1 ZINC000186250019 822864936 /nfs/dbraw/zinc/86/49/36/822864936.db2.gz QHXOZWUBOYVMGY-FQEVSTJZSA-N 0 3 383.488 4.219 20 10 GICDHN C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1[O-] ZINC000186464892 822899697 /nfs/dbraw/zinc/89/96/97/822899697.db2.gz GFBHQZRBQYXZMV-CQSZACIVSA-N 0 3 392.421 4.366 20 10 GICDHN C[C@@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc(N(C)C)cc1 ZINC000164993602 823829075 /nfs/dbraw/zinc/82/90/75/823829075.db2.gz FVODQBCKDLJAHN-QGZVFWFLSA-N 0 3 377.488 4.126 20 10 GICDHN Cc1ccc(CNC(=O)C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)cc1 ZINC000177156684 823386088 /nfs/dbraw/zinc/38/60/88/823386088.db2.gz ITZOHWZGOBNWTA-UHFFFAOYSA-N 0 3 388.511 4.382 20 10 GICDHN COc1cc(CNCc2ccc(N(C)C)c(F)c2)ccc1OCc1ccncc1 ZINC000058474629 823397141 /nfs/dbraw/zinc/39/71/41/823397141.db2.gz BMOVJYPPUYKBFG-UHFFFAOYSA-N 0 3 395.478 4.164 20 10 GICDHN C[C@@H](N[C@@H]1CCCOc2c(F)cccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000181319032 821756814 /nfs/dbraw/zinc/75/68/14/821756814.db2.gz DLOFPMGRQRORQI-OPAMFIHVSA-N 0 3 384.495 4.351 20 10 GICDHN CC[C@H](N[C@@H](CO)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000181395686 821805044 /nfs/dbraw/zinc/80/50/44/821805044.db2.gz SURTUGKNLAWEEA-OALUTQOASA-N 0 3 377.326 4.289 20 10 GICDHN C[C@H](NCc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178472487 822382668 /nfs/dbraw/zinc/38/26/68/822382668.db2.gz LUJPZUOLHCPURQ-AWEZNQCLSA-N 0 3 398.400 4.412 20 10 GICDHN C[C@H](NCc1cccc(OCC(F)F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180528981 822696694 /nfs/dbraw/zinc/69/66/94/822696694.db2.gz YXNPIPXBGZNOSQ-HNNXBMFYSA-N 0 3 394.437 4.157 20 10 GICDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c([O-])c1 ZINC000185306573 822762794 /nfs/dbraw/zinc/76/27/94/822762794.db2.gz VJYCVZGQMXRZLR-ZWKOTPCHSA-N 0 3 381.520 4.369 20 10 GICDHN CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000186101321 822851858 /nfs/dbraw/zinc/85/18/58/822851858.db2.gz AWOLYWLBGUESHY-ROUUACIJSA-N 0 3 384.520 4.408 20 10 GICDHN COc1ccc(N2CCCN(Cc3ccc4c(c3)COC(C)(C)O4)CC2)cc1 ZINC000186297505 822872834 /nfs/dbraw/zinc/87/28/34/822872834.db2.gz UAJHVDGFYXSHGB-UHFFFAOYSA-N 0 3 382.504 4.053 20 10 GICDHN C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1[O-] ZINC000186464872 822899576 /nfs/dbraw/zinc/89/95/76/822899576.db2.gz GFBHQZRBQYXZMV-AWEZNQCLSA-N 0 3 392.421 4.366 20 10 GICDHN CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])c1 ZINC000187002752 822995553 /nfs/dbraw/zinc/99/55/53/822995553.db2.gz PVSIPHWHHUMOHW-LBPRGKRZSA-N 0 3 377.282 4.272 20 10 GICDHN CC[C@@H](NCc1cc(OC)c(OC)cc1Br)c1ccccc1O ZINC000121094972 823117524 /nfs/dbraw/zinc/11/75/24/823117524.db2.gz OZCCHGCFSFSTKW-OAHLLOKOSA-N 0 3 380.282 4.413 20 10 GICDHN C[C@H](c1ccccc1)N(Cc1cc(=O)n2ccccc2n1)Cc1ccccc1O ZINC000176676040 823264904 /nfs/dbraw/zinc/26/49/04/823264904.db2.gz SKUJVIKYEXRJHW-GOSISDBHSA-N 0 3 385.467 4.164 20 10 GICDHN Cc1cc2oc(=O)cc(CN[C@H](C)c3ccc(N4CCOCC4)cc3)c2cc1C ZINC000123305975 823493551 /nfs/dbraw/zinc/49/35/51/823493551.db2.gz WYOGPPXNOFWULB-GOSISDBHSA-N 0 3 392.499 4.097 20 10 GICDHN C[C@@H](NCc1ccc(Cn2cncn2)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000177771716 823523811 /nfs/dbraw/zinc/52/38/11/823523811.db2.gz OQVFTEBDCYCNFU-GOSISDBHSA-N 0 3 393.510 4.307 20 10 GICDHN COCCc1nc(C)c([C@@H](C)NCc2ccc(N3CCSCC3)cc2)s1 ZINC000181384109 821798032 /nfs/dbraw/zinc/79/80/32/821798032.db2.gz ASGSWVNISRBXTF-OAHLLOKOSA-N 0 3 391.606 4.044 20 10 GICDHN COc1ccc(O)c([C@@H](C)NCC(=O)N[C@H](C)c2cccc3ccccc32)c1 ZINC000182338875 822207513 /nfs/dbraw/zinc/20/75/13/822207513.db2.gz WKEGTIQJLMEIEA-HZPDHXFCSA-N 0 3 378.472 4.082 20 10 GICDHN C[C@@H](NCc1ccccc1N1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000177963391 822259580 /nfs/dbraw/zinc/25/95/80/822259580.db2.gz YYIKABWNRQZANO-HXUWFJFHSA-N 0 3 379.548 4.364 20 10 GICDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(C(=O)N4CCC[C@H](C)C4)CC3)c2c1 ZINC000045801796 822414906 /nfs/dbraw/zinc/41/49/06/822414906.db2.gz XDJMTBGDTHLPKF-KRWDZBQOSA-N 0 3 396.531 4.025 20 10 GICDHN CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180282252 822654641 /nfs/dbraw/zinc/65/46/41/822654641.db2.gz KZXGOTPWUIPVDS-UHFFFAOYSA-N 0 3 376.497 4.110 20 10 GICDHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)c([O-])c1 ZINC000185060570 822730836 /nfs/dbraw/zinc/73/08/36/822730836.db2.gz BZBXPZRXPBIIIX-OAHLLOKOSA-N 0 3 394.437 4.407 20 10 GICDHN C[C@H]([NH2+]Cc1ccc(OCCOc2ccccc2)nc1)c1cc(F)ccc1[O-] ZINC000185074551 822733379 /nfs/dbraw/zinc/73/33/79/822733379.db2.gz CPOOTAZOIHMWRK-INIZCTEOSA-N 0 3 382.435 4.235 20 10 GICDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCSc3nccs3)cs2)c1 ZINC000124256338 823581512 /nfs/dbraw/zinc/58/15/12/823581512.db2.gz SDIFRKBWCISWSM-UHFFFAOYSA-N 0 3 392.531 4.447 20 10 GICDHN Cc1cc(O)c(CN2CCN(c3ncnc4sccc43)CC2)cc1C(C)C ZINC000124559606 823606358 /nfs/dbraw/zinc/60/63/58/823606358.db2.gz RZHOKYLOCSHUBZ-UHFFFAOYSA-N 0 3 382.533 4.151 20 10 GICDHN C[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1ccc(N2CCCCC2)cc1 ZINC000125665925 823694817 /nfs/dbraw/zinc/69/48/17/823694817.db2.gz OLJCAZJLMPQFNP-GOSISDBHSA-N 0 3 386.561 4.072 20 10 GICDHN Fc1ccc2c(c1)[C@H](NCc1ccc(N3CCOCC3)cc1C(F)(F)F)CC2 ZINC000163403256 823706743 /nfs/dbraw/zinc/70/67/43/823706743.db2.gz HMBZSJJXFWTKSX-HXUWFJFHSA-N 0 3 394.412 4.458 20 10 GICDHN O=C(c1ccccc1F)N1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000126047572 823774870 /nfs/dbraw/zinc/77/48/70/823774870.db2.gz MRSQTMDQHJVFOD-UHFFFAOYSA-N 0 3 378.447 4.033 20 10 GICDHN O=C(c1ccccc1F)N1CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000126047572 823774874 /nfs/dbraw/zinc/77/48/74/823774874.db2.gz MRSQTMDQHJVFOD-UHFFFAOYSA-N 0 3 378.447 4.033 20 10 GICDHN CC[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1OCC(=O)N(C)C ZINC000165677314 823858242 /nfs/dbraw/zinc/85/82/42/823858242.db2.gz NFUNQIBFBALSGR-UWJYYQICSA-N 0 3 383.536 4.022 20 10 GICDHN O=C(C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1)N1CCc2ccccc21 ZINC000122615586 823381863 /nfs/dbraw/zinc/38/18/63/823381863.db2.gz HCFDVGVKRNOSQB-UHFFFAOYSA-N 0 3 386.495 4.347 20 10 GICDHN Cc1cc2oc(=O)cc(CN[C@@H](C)c3ccc(N4CCOCC4)cc3)c2cc1C ZINC000123305724 823493573 /nfs/dbraw/zinc/49/35/73/823493573.db2.gz WYOGPPXNOFWULB-SFHVURJKSA-N 0 3 392.499 4.097 20 10 GICDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(C#N)c1 ZINC000181527810 821867277 /nfs/dbraw/zinc/86/72/77/821867277.db2.gz AYHDVRKNLNIWCE-OAHLLOKOSA-N 0 3 389.421 4.264 20 10 GICDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@H](C)c2cccc3ccccc32)c1 ZINC000182338831 822207745 /nfs/dbraw/zinc/20/77/45/822207745.db2.gz WKEGTIQJLMEIEA-JKSUJKDBSA-N 0 3 378.472 4.082 20 10 GICDHN C[C@@H](NCc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178472555 822382604 /nfs/dbraw/zinc/38/26/04/822382604.db2.gz LUJPZUOLHCPURQ-CQSZACIVSA-N 0 3 398.400 4.412 20 10 GICDHN CCOc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccc(N3CCOCC3)cc1)CCO2 ZINC000178665321 822400864 /nfs/dbraw/zinc/40/08/64/822400864.db2.gz VMSKVLJAAFLQPW-JTSKRJEESA-N 0 3 382.504 4.096 20 10 GICDHN C[C@@H](N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1O ZINC000183536938 822491743 /nfs/dbraw/zinc/49/17/43/822491743.db2.gz QDYZGAWMMUFIDX-OPAMFIHVSA-N 0 3 381.497 4.236 20 10 GICDHN C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000184894309 822708947 /nfs/dbraw/zinc/70/89/47/822708947.db2.gz TYTDZSUKMDNCCJ-GOSISDBHSA-N 0 3 376.500 4.228 20 10 GICDHN C[S@](=O)C[C@@H](NCc1ccc(OCc2ccccc2)cc1O)c1ccccc1 ZINC000184938531 822715874 /nfs/dbraw/zinc/71/58/74/822715874.db2.gz RBGQAAWHSHHDJX-DFHRPNOPSA-N 0 3 395.524 4.181 20 10 GICDHN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185306741 822763014 /nfs/dbraw/zinc/76/30/14/822763014.db2.gz BPGSNYINYYELBG-HOTGVXAUSA-N 0 3 385.483 4.199 20 10 GICDHN CC1(C)OCc2cc(C[N@@H+](Cc3ccccc3[O-])C[C@H]3CCCO3)ccc2O1 ZINC000186250040 822864864 /nfs/dbraw/zinc/86/48/64/822864864.db2.gz QHXOZWUBOYVMGY-HXUWFJFHSA-N 0 3 383.488 4.219 20 10 GICDHN CC1(C)OCc2cc(C[N@H+](Cc3ccccc3[O-])C[C@H]3CCCO3)ccc2O1 ZINC000186250040 822864868 /nfs/dbraw/zinc/86/48/68/822864868.db2.gz QHXOZWUBOYVMGY-HXUWFJFHSA-N 0 3 383.488 4.219 20 10 GICDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1[O-] ZINC000187202620 823024386 /nfs/dbraw/zinc/02/43/86/823024386.db2.gz AXFVCJUJMSALEX-NEPJUHHUSA-N 0 3 392.297 4.366 20 10 GICDHN COc1ccc2c(c1)[C@@H](NCc1ccc(N3CCC(CO)CC3)cc1)CCS2 ZINC000191500656 823692170 /nfs/dbraw/zinc/69/21/70/823692170.db2.gz UUPWRCUDCJQKLJ-QFIPXVFZSA-N 0 3 398.572 4.231 20 10 GICDHN Cc1nc(C(C)C)sc1[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000165173695 823838127 /nfs/dbraw/zinc/83/81/27/823838127.db2.gz YGBQBNAFERMHQN-AWEZNQCLSA-N 0 3 377.529 4.401 20 10 GICDHN COc1cccc(CNc2ccc(NC(=O)CN3CCCCCCC3)cc2)c1O ZINC000126904896 823977941 /nfs/dbraw/zinc/97/79/41/823977941.db2.gz JKLBPWMFIRUIGZ-UHFFFAOYSA-N 0 3 397.519 4.218 20 10 GICDHN CC(C)N1CCN(c2cccc(NC(=O)c3cc(F)c(F)cc3Cl)c2)CC1 ZINC000122258589 823328742 /nfs/dbraw/zinc/32/87/42/823328742.db2.gz DHIOPMUHESCDLT-UHFFFAOYSA-N 0 3 393.865 4.401 20 10 GICDHN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000181236355 821712335 /nfs/dbraw/zinc/71/23/35/821712335.db2.gz XWQIIPHWSMEEAD-HOTGVXAUSA-N 0 3 387.455 4.291 20 10 GICDHN C[C@@H](N[C@H]1CCCOc2c(F)cccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000181319069 821756828 /nfs/dbraw/zinc/75/68/28/821756828.db2.gz DLOFPMGRQRORQI-ZHRRBRCNSA-N 0 3 384.495 4.351 20 10 GICDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)c1 ZINC000182435723 822242338 /nfs/dbraw/zinc/24/23/38/822242338.db2.gz ONDRNZDIGZJBKK-OAHLLOKOSA-N 0 3 388.483 4.018 20 10 GICDHN CCCOc1ccc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000178536487 822389245 /nfs/dbraw/zinc/38/92/45/822389245.db2.gz QTKMVOZRQRZRBQ-QGZVFWFLSA-N 0 3 386.511 4.426 20 10 GICDHN CCOc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(N3CCOCC3)cc1)CCO2 ZINC000178665335 822400924 /nfs/dbraw/zinc/40/09/24/822400924.db2.gz VMSKVLJAAFLQPW-VGOFRKELSA-N 0 3 382.504 4.096 20 10 GICDHN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1[O-] ZINC000183428981 822473727 /nfs/dbraw/zinc/47/37/27/822473727.db2.gz MIPRYYLFKBFXGB-CQSZACIVSA-N 0 3 380.410 4.098 20 10 GICDHN COc1cc(-c2noc(CCCCC[NH2+][C@H](C)c3ccccc3[O-])n2)ccc1O ZINC000183605254 822500397 /nfs/dbraw/zinc/50/03/97/822500397.db2.gz NEQUTFAWFKVCBV-OAHLLOKOSA-N 0 3 397.475 4.220 20 10 GICDHN C[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H](O)COCc1ccco1 ZINC000179642918 822518673 /nfs/dbraw/zinc/51/86/73/822518673.db2.gz CQFKTCXIYHJJTB-RXVVDRJESA-N 0 3 381.472 4.126 20 10 GICDHN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H](O)COCc1ccco1 ZINC000179642918 822518676 /nfs/dbraw/zinc/51/86/76/822518676.db2.gz CQFKTCXIYHJJTB-RXVVDRJESA-N 0 3 381.472 4.126 20 10 GICDHN COc1ccc(O)c(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1 ZINC000180090142 822613300 /nfs/dbraw/zinc/61/33/00/822613300.db2.gz KMUKBEZRMUPOQV-UHFFFAOYSA-N 0 3 380.419 4.082 20 10 GICDHN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(F)ccc1[O-] ZINC000185060634 822730906 /nfs/dbraw/zinc/73/09/06/822730906.db2.gz GOCOEKDVQZPZBJ-CYBMUJFWSA-N 0 3 398.400 4.238 20 10 GICDHN C[C@@H]([NH2+]Cc1ccc(OCCOc2ccccc2)nc1)c1cc(F)ccc1[O-] ZINC000185074567 822733400 /nfs/dbraw/zinc/73/34/00/822733400.db2.gz CPOOTAZOIHMWRK-MRXNPFEDSA-N 0 3 382.435 4.235 20 10 GICDHN CCc1nc(CN2CCC(C[NH2+][C@H](C)c3cc(F)ccc3[O-])CC2)cs1 ZINC000185423440 822782047 /nfs/dbraw/zinc/78/20/47/822782047.db2.gz PPNWAWKHQLWLND-CQSZACIVSA-N 0 3 377.529 4.113 20 10 GICDHN CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000186101419 822851891 /nfs/dbraw/zinc/85/18/91/822851891.db2.gz GBRHHEXGHRYTQT-HZPDHXFCSA-N 0 3 388.483 4.238 20 10 GICDHN O=C(Nc1cccc(CNCc2ccc3c(c2)CCO3)c1)c1ccc(F)cc1 ZINC000054176138 822866065 /nfs/dbraw/zinc/86/60/65/822866065.db2.gz RMZZCHLQBNZJIW-UHFFFAOYSA-N 0 3 376.431 4.303 20 10 GICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCc4c(cccc4NC(C)=O)C3)c2c1 ZINC000054571909 822896513 /nfs/dbraw/zinc/89/65/13/822896513.db2.gz STPKYVPTLGYYII-UHFFFAOYSA-N 0 3 376.456 4.071 20 10 GICDHN COc1ccc2ccc([O-])c(C[N@H+]3CCc4c(cccc4NC(C)=O)C3)c2c1 ZINC000054571909 822896516 /nfs/dbraw/zinc/89/65/16/822896516.db2.gz STPKYVPTLGYYII-UHFFFAOYSA-N 0 3 376.456 4.071 20 10 GICDHN Cc1cc(C(F)(F)F)ccc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000190849428 823616326 /nfs/dbraw/zinc/61/63/26/823616326.db2.gz RUQMUKHPCANXFI-UHFFFAOYSA-N 0 3 396.428 4.404 20 10 GICDHN COc1cc(CN[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c2ccccc2n1 ZINC000125003223 823644147 /nfs/dbraw/zinc/64/41/47/823644147.db2.gz WKIIIFUCNZVZTQ-MRXNPFEDSA-N 0 3 395.478 4.070 20 10 GICDHN C[C@H](NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc(N(C)C)cc1 ZINC000164993479 823829123 /nfs/dbraw/zinc/82/91/23/823829123.db2.gz FVODQBCKDLJAHN-KRWDZBQOSA-N 0 3 377.488 4.126 20 10 GICDHN CCC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000165186604 823838683 /nfs/dbraw/zinc/83/86/83/823838683.db2.gz SRQPZNVKHXHAIS-FQEVSTJZSA-N 0 3 387.455 4.202 20 10 GICDHN Cc1ccc(OC(F)F)c(CN[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000168603210 823905191 /nfs/dbraw/zinc/90/51/91/823905191.db2.gz QOACSCPGROHIAR-MRXNPFEDSA-N 0 3 376.447 4.284 20 10 GICDHN c1cc(N2CCOCC2)ccc1CN[C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000122013349 823293249 /nfs/dbraw/zinc/29/32/49/823293249.db2.gz WANKCLBLYIDLHY-QHCPKHFHSA-N 0 3 378.516 4.015 20 10 GICDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(Oc4ccc(F)nc4)CC3)c2c1 ZINC000189829889 823503165 /nfs/dbraw/zinc/50/31/65/823503165.db2.gz XUVPLKPAUFAIOU-UHFFFAOYSA-N 0 3 382.435 4.132 20 10 GICDHN Brc1cccc(C2(NCc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000123729691 823535475 /nfs/dbraw/zinc/53/54/75/823535475.db2.gz RGPGDGCBSFHUMZ-UHFFFAOYSA-N 0 3 387.321 4.065 20 10 GICDHN C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc(C#N)c1 ZINC000181527789 821867332 /nfs/dbraw/zinc/86/73/32/821867332.db2.gz AYHDVRKNLNIWCE-HNNXBMFYSA-N 0 3 389.421 4.264 20 10 GICDHN COc1ccc(O)c(CN[C@@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 ZINC000182194214 822141103 /nfs/dbraw/zinc/14/11/03/822141103.db2.gz GPTVHQTWDKLSNR-NRFANRHFSA-N 0 3 391.446 4.421 20 10 GICDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@@H](c2cccs2)C(C)(C)C)c1 ZINC000182436585 822242380 /nfs/dbraw/zinc/24/23/80/822242380.db2.gz PGOIBYCHJIWRRD-DJJJIMSYSA-N 0 3 376.522 4.017 20 10 GICDHN CCOc1ccc2c(c1)[C@@H](N[C@H](C)c1ccc(N3CCOCC3)cc1)CCO2 ZINC000178665347 822400901 /nfs/dbraw/zinc/40/09/01/822400901.db2.gz VMSKVLJAAFLQPW-VGSWGCGISA-N 0 3 382.504 4.096 20 10 GICDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000183160189 822433295 /nfs/dbraw/zinc/43/32/95/822433295.db2.gz XTPNNNKGJXZLEJ-SIKLNZKXSA-N 0 3 385.529 4.116 20 10 GICDHN C[C@H](N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1)c1ccccc1O ZINC000183536921 822491687 /nfs/dbraw/zinc/49/16/87/822491687.db2.gz QDYZGAWMMUFIDX-KSFYIVLOSA-N 0 3 381.497 4.236 20 10 GICDHN CC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])c1 ZINC000187002737 822995560 /nfs/dbraw/zinc/99/55/60/822995560.db2.gz PVSIPHWHHUMOHW-GFCCVEGCSA-N 0 3 377.282 4.272 20 10 GICDHN COc1ccc([C@H](C)NCc2ccc(N3CCSCC3)cc2)cc1NC(C)=O ZINC000163619477 823728635 /nfs/dbraw/zinc/72/86/35/823728635.db2.gz VQFNWJLVCUZSEL-INIZCTEOSA-N 0 3 399.560 4.058 20 10 GICDHN c1csc(SCCCNCc2csc(-c3ccc4c(c3)OCO4)n2)n1 ZINC000123142994 823469280 /nfs/dbraw/zinc/46/92/80/823469280.db2.gz SSHHUQHMWAATPA-UHFFFAOYSA-N 0 3 391.543 4.267 20 10 GICDHN COc1ccc(O)c(CN[C@H](Cn2cnc3ccccc32)c2ccc(F)cc2)c1 ZINC000182194235 822141034 /nfs/dbraw/zinc/14/10/34/822141034.db2.gz GPTVHQTWDKLSNR-OAQYLSRUSA-N 0 3 391.446 4.421 20 10 GICDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2cccc(-c3csc(C)n3)c2)c1 ZINC000182327812 822203589 /nfs/dbraw/zinc/20/35/89/822203589.db2.gz WSHGXPFEDJAZGX-CYBMUJFWSA-N 0 3 397.500 4.122 20 10 GICDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000182467741 822254764 /nfs/dbraw/zinc/25/47/64/822254764.db2.gz NSUFTYRQYDAKTG-INIZCTEOSA-N 0 3 392.455 4.482 20 10 GICDHN C[C@H](NCc1ccccc1N1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000177963378 822259744 /nfs/dbraw/zinc/25/97/44/822259744.db2.gz YYIKABWNRQZANO-FQEVSTJZSA-N 0 3 379.548 4.364 20 10 GICDHN CCN1CCN(c2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)CC1 ZINC000184280173 822607933 /nfs/dbraw/zinc/60/79/33/822607933.db2.gz KQZNFPMUEIUTLZ-UHFFFAOYSA-N 0 3 377.410 4.100 20 10 GICDHN Cc1cncc([C@@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000184285206 822608790 /nfs/dbraw/zinc/60/87/90/822608790.db2.gz ICPFAJAXPNHXDR-OAHLLOKOSA-N 0 3 379.426 4.096 20 10 GICDHN CC[C@H](NCc1ccc(OC)c(C)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000048750515 822681299 /nfs/dbraw/zinc/68/12/99/822681299.db2.gz IBGDDFJHYZCKCX-NRFANRHFSA-N 0 3 396.531 4.246 20 10 GICDHN C[C@@H](NCc1cccnc1OCC(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000184984878 822721818 /nfs/dbraw/zinc/72/18/18/822721818.db2.gz AEKVTHQTSVUELN-CYBMUJFWSA-N 0 3 380.410 4.458 20 10 GICDHN COc1cccc(Oc2ccc(CN[C@@H](C)c3cc(OC)ccc3O)cn2)c1 ZINC000185057400 822730329 /nfs/dbraw/zinc/73/03/29/822730329.db2.gz CTHWVVIAAXWMSA-HNNXBMFYSA-N 0 3 380.444 4.448 20 10 GICDHN C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc2ccccc2c1[O-] ZINC000185063326 822731299 /nfs/dbraw/zinc/73/12/99/822731299.db2.gz GGITUZVGFJGENB-GOSISDBHSA-N 0 3 376.500 4.228 20 10 GICDHN CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185362557 822771869 /nfs/dbraw/zinc/77/18/69/822771869.db2.gz JBOFGTDCWJUKPS-HOTGVXAUSA-N 0 3 389.490 4.224 20 10 GICDHN CC1CCN([C@H](CNC(=O)N(C)Cc2ccccc2O)c2cccs2)CC1 ZINC000126780322 823949526 /nfs/dbraw/zinc/94/95/26/823949526.db2.gz CERUWDNITRZRDC-GOSISDBHSA-N 0 3 387.549 4.068 20 10 GICDHN CCOc1ccccc1C(=O)N1CCC([NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000359972823 206274629 /nfs/dbraw/zinc/27/46/29/206274629.db2.gz HAFUUBFIRBJPQY-KRWDZBQOSA-N 0 3 382.504 4.055 20 10 GICDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 ZINC000182381607 822222551 /nfs/dbraw/zinc/22/25/51/822222551.db2.gz CSUQBOXSWKHFRV-HOTGVXAUSA-N 0 3 378.472 4.082 20 10 GICDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000182468251 822254608 /nfs/dbraw/zinc/25/46/08/822254608.db2.gz WVDOKQWFLYDCIQ-KRWDZBQOSA-N 0 3 390.483 4.281 20 10 GICDHN CCN1CCN(c2ccc(CN[C@H](C)c3ccc4ccccc4n3)cc2F)CC1 ZINC000177972391 822263970 /nfs/dbraw/zinc/26/39/70/822263970.db2.gz HVSXNIYBJABAST-GOSISDBHSA-N 0 3 392.522 4.367 20 10 GICDHN C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1n1ccnc1 ZINC000183124594 822427555 /nfs/dbraw/zinc/42/75/55/822427555.db2.gz KFVCXXLIHXJGPE-AVRDEDQJSA-N 0 3 377.488 4.251 20 10 GICDHN C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C[C@@H]1n1ccnc1 ZINC000183124594 822427556 /nfs/dbraw/zinc/42/75/56/822427556.db2.gz KFVCXXLIHXJGPE-AVRDEDQJSA-N 0 3 377.488 4.251 20 10 GICDHN C[C@@H]([NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccccc1[O-] ZINC000183475344 822481198 /nfs/dbraw/zinc/48/11/98/822481198.db2.gz MIYWLJKJMJNWEN-DNVCBOLYSA-N 0 3 394.437 4.135 20 10 GICDHN Cc1ccc(F)cc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000180060539 822606451 /nfs/dbraw/zinc/60/64/51/822606451.db2.gz ICUMZOPTHVDJFO-UHFFFAOYSA-N 0 3 382.401 4.279 20 10 GICDHN C[C@@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc(F)ccc1[O-] ZINC000185024927 822726684 /nfs/dbraw/zinc/72/66/84/822726684.db2.gz SSSPERBIFWDPLR-GFCCVEGCSA-N 0 3 383.389 4.265 20 10 GICDHN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185306761 822763004 /nfs/dbraw/zinc/76/30/04/822763004.db2.gz BPGSNYINYYELBG-CVEARBPZSA-N 0 3 385.483 4.199 20 10 GICDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c([O-])c1 ZINC000185306629 822763025 /nfs/dbraw/zinc/76/30/25/822763025.db2.gz VJYCVZGQMXRZLR-MSOLQXFVSA-N 0 3 381.520 4.369 20 10 GICDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185362533 822771846 /nfs/dbraw/zinc/77/18/46/822771846.db2.gz JBOFGTDCWJUKPS-JKSUJKDBSA-N 0 3 389.490 4.224 20 10 GICDHN COc1cccc(Oc2ncccc2CN[C@H](C)c2cc(OC)ccc2O)c1 ZINC000185535977 822794390 /nfs/dbraw/zinc/79/43/90/822794390.db2.gz ZONJIXIQLBDHGV-OAHLLOKOSA-N 0 3 380.444 4.448 20 10 GICDHN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(OC(F)(F)F)c1 ZINC000175752861 823032095 /nfs/dbraw/zinc/03/20/95/823032095.db2.gz LGLVGBTYFADEPX-AWEZNQCLSA-N 0 3 398.400 4.412 20 10 GICDHN CCC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000165186715 823838986 /nfs/dbraw/zinc/83/89/86/823838986.db2.gz SRQPZNVKHXHAIS-HXUWFJFHSA-N 0 3 387.455 4.202 20 10 GICDHN C[C@H](N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000167785263 823895186 /nfs/dbraw/zinc/89/51/86/823895186.db2.gz ZYZIXVGESWUGPE-IRXDYDNUSA-N 0 3 385.527 4.265 20 10 GICDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1[O-] ZINC000187379919 823052722 /nfs/dbraw/zinc/05/27/22/823052722.db2.gz KRDFVIWGZCSRRB-HACGYAERSA-N 0 3 386.355 4.168 20 10 GICDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(C(=O)Nc4ccccc4)CC3)c2c1 ZINC000008190834 818015520 /nfs/dbraw/zinc/01/55/20/818015520.db2.gz FGKIDGXUAJRENA-UHFFFAOYSA-N 0 3 390.483 4.405 20 10 GICDHN Cc1nn(-c2ccc(F)cc2F)c(C)c1CNCc1ccc2c(c1)CCCN2C ZINC000058476939 823397681 /nfs/dbraw/zinc/39/76/81/823397681.db2.gz GOUXBXTVMNJRTH-UHFFFAOYSA-N 0 3 396.485 4.440 20 10 GICDHN COc1cc(O)c(CN(Cc2ccccc2)C[C@H](O)c2ccsc2)cc1OC ZINC000180711096 821409924 /nfs/dbraw/zinc/40/99/24/821409924.db2.gz ZUFARMPWUBUBBJ-FQEVSTJZSA-N 0 3 399.512 4.207 20 10 GICDHN C[C@H](N[C@H]1CCCOc2c(F)cccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000181319051 821756680 /nfs/dbraw/zinc/75/66/80/821756680.db2.gz DLOFPMGRQRORQI-AOMKIAJQSA-N 0 3 384.495 4.351 20 10 GICDHN CC[C@@H](N[C@@H](CO)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000181395705 821805145 /nfs/dbraw/zinc/80/51/45/821805145.db2.gz SURTUGKNLAWEEA-MOPGFXCFSA-N 0 3 377.326 4.289 20 10 GICDHN COc1ccc(O)c([C@@H](C)NCC(=O)N[C@H](C)c2ccc3ccccc3c2)c1 ZINC000182381657 822222730 /nfs/dbraw/zinc/22/27/30/822222730.db2.gz CSUQBOXSWKHFRV-HZPDHXFCSA-N 0 3 378.472 4.082 20 10 GICDHN C[C@H](NCc1ccc(OC(F)F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178281577 822362802 /nfs/dbraw/zinc/36/28/02/822362802.db2.gz SFUPIZGJOBIIKK-AWEZNQCLSA-N 0 3 380.410 4.115 20 10 GICDHN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2ccccc2n1 ZINC000178538571 822389503 /nfs/dbraw/zinc/38/95/03/822389503.db2.gz JBQLWPFYMAOVCL-GOSISDBHSA-N 0 3 375.516 4.294 20 10 GICDHN Cc1noc([C@H]2CCC[N@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)n1 ZINC000183002797 822409183 /nfs/dbraw/zinc/40/91/83/822409183.db2.gz XEQBJBLGQSQNEG-IBGZPJMESA-N 0 3 379.460 4.042 20 10 GICDHN Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3[O-])C2)n1 ZINC000183002797 822409185 /nfs/dbraw/zinc/40/91/85/822409185.db2.gz XEQBJBLGQSQNEG-IBGZPJMESA-N 0 3 379.460 4.042 20 10 GICDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000183023843 822413090 /nfs/dbraw/zinc/41/30/90/822413090.db2.gz JCTGZCILYBFHCA-QHCPKHFHSA-N 0 3 397.515 4.131 20 10 GICDHN Fc1ccc(Oc2ccc(CNCc3ccc(N4CCOCC4)cc3)cn2)cc1 ZINC000048741520 822680525 /nfs/dbraw/zinc/68/05/25/822680525.db2.gz NSUKYBPKDNXRQA-UHFFFAOYSA-N 0 3 393.462 4.139 20 10 GICDHN C[S@](=O)C[C@H](NCc1ccc(OCc2ccccc2)cc1O)c1ccccc1 ZINC000184938492 822715844 /nfs/dbraw/zinc/71/58/44/822715844.db2.gz RBGQAAWHSHHDJX-DWACAAAGSA-N 0 3 395.524 4.181 20 10 GICDHN CC(=O)N1CC[C@H](NCc2ccc(N3CCCCC3)cc2)c2ccc(F)cc2C1 ZINC000185350884 822769610 /nfs/dbraw/zinc/76/96/10/822769610.db2.gz WAEWMFUMGVGWJR-DEOSSOPVSA-N 0 3 395.522 4.399 20 10 GICDHN CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])c2ccc(F)cc2C1 ZINC000185604033 822801131 /nfs/dbraw/zinc/80/11/31/822801131.db2.gz UMKLUTYGAQKFJF-LJQANCHMSA-N 0 3 376.859 4.076 20 10 GICDHN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(OC(F)(F)F)c1 ZINC000175752878 823032065 /nfs/dbraw/zinc/03/20/65/823032065.db2.gz LGLVGBTYFADEPX-CQSZACIVSA-N 0 3 398.400 4.412 20 10 GICDHN C[C@H](NCc1cccnc1-n1cccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000177902957 823544215 /nfs/dbraw/zinc/54/42/15/823544215.db2.gz DQBCUSZTCNBIGN-KRWDZBQOSA-N 0 3 379.483 4.248 20 10 GICDHN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000163622532 823728516 /nfs/dbraw/zinc/72/85/16/823728516.db2.gz GOXNNHRQGPGCMQ-IBGZPJMESA-N 0 3 392.572 4.335 20 10 GICDHN Cc1nccn1-c1ccc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)cn1 ZINC000126297832 823833420 /nfs/dbraw/zinc/83/34/20/823833420.db2.gz OBACMSKJWPJFRI-GOSISDBHSA-N 0 3 375.520 4.417 20 10 GICDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000182467662 822254792 /nfs/dbraw/zinc/25/47/92/822254792.db2.gz JCWDXWBXIMHMIJ-LLVKDONJSA-N 0 3 382.432 4.005 20 10 GICDHN COc1cccc(C(NCc2cc(OC)ccc2O)c2cccc(OC)c2)c1 ZINC000182527267 822284446 /nfs/dbraw/zinc/28/44/46/822284446.db2.gz YYACODIJDGRKEL-UHFFFAOYSA-N 0 3 379.456 4.297 20 10 GICDHN C[C@@H](NCc1ccc(-n2cncn2)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178741965 822406440 /nfs/dbraw/zinc/40/64/40/822406440.db2.gz BXWVKRLVVDBDNJ-QGZVFWFLSA-N 0 3 379.483 4.248 20 10 GICDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(C(=O)N4CCC[C@@H](C)C4)CC3)c2c1 ZINC000045801795 822414790 /nfs/dbraw/zinc/41/47/90/822414790.db2.gz XDJMTBGDTHLPKF-QGZVFWFLSA-N 0 3 396.531 4.025 20 10 GICDHN CCOc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3ccc(C)cc3[O-])CC2)cc1 ZINC000185171287 822745164 /nfs/dbraw/zinc/74/51/64/822745164.db2.gz TZBPLHKGWKJMMZ-KRWDZBQOSA-N 0 3 382.504 4.055 20 10 GICDHN C[C@@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1cc(F)ccc1[O-] ZINC000185447386 822785408 /nfs/dbraw/zinc/78/54/08/822785408.db2.gz MJQKAKPOJSUOMK-OAHLLOKOSA-N 0 3 394.450 4.099 20 10 GICDHN COc1cc([C@H](C)NCc2ccc3c(c2)CCO3)ccc1OCc1ccncc1 ZINC000054175860 822866086 /nfs/dbraw/zinc/86/60/86/822866086.db2.gz KJWFZXTVMRJCOX-KRWDZBQOSA-N 0 3 390.483 4.455 20 10 GICDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1[O-] ZINC000187202566 823024400 /nfs/dbraw/zinc/02/44/00/823024400.db2.gz AXFVCJUJMSALEX-NWDGAFQWSA-N 0 3 392.297 4.366 20 10 GICDHN Cc1cc(C(F)(F)F)ccc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000190843733 823615437 /nfs/dbraw/zinc/61/54/37/823615437.db2.gz FJNZEEWZAYXFFX-UHFFFAOYSA-N 0 3 382.401 4.279 20 10 GICDHN Cc1nc(C(C)C)sc1[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000165173574 823837970 /nfs/dbraw/zinc/83/79/70/823837970.db2.gz YGBQBNAFERMHQN-CQSZACIVSA-N 0 3 377.529 4.401 20 10 GICDHN CC[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccc1OCC(=O)N(C)C ZINC000165677440 823858387 /nfs/dbraw/zinc/85/83/87/823858387.db2.gz NFUNQIBFBALSGR-LAUBAEHRSA-N 0 3 383.536 4.022 20 10 GICDHN CC1CCN([C@@H](CNC(=O)N(C)Cc2ccccc2O)c2cccs2)CC1 ZINC000126780075 823949458 /nfs/dbraw/zinc/94/94/58/823949458.db2.gz CERUWDNITRZRDC-SFHVURJKSA-N 0 3 387.549 4.068 20 10 GICDHN [O-]c1ccccc1C[N@H+](CCCc1nc(-c2ccccc2)no1)C[C@@H]1CCCO1 ZINC000123518351 823516559 /nfs/dbraw/zinc/51/65/59/823516559.db2.gz VDNKVROWZHBCDR-FQEVSTJZSA-N 0 3 393.487 4.056 20 10 GICDHN [O-]c1ccccc1C[N@@H+](CCCc1nc(-c2ccccc2)no1)C[C@@H]1CCCO1 ZINC000123518351 823516563 /nfs/dbraw/zinc/51/65/63/823516563.db2.gz VDNKVROWZHBCDR-FQEVSTJZSA-N 0 3 393.487 4.056 20 10 GICDHN COc1cc(O)c(CN[C@H](COc2ccccc2F)c2ccccc2)cc1OC ZINC000180907091 821528927 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GICDHN CCOc1ccc(Oc2cc(CNCc3cc(OC)ccc3O)ccn2)cc1 ZINC000180049056 822604192 /nfs/dbraw/zinc/60/41/92/822604192.db2.gz DESLJRFXIGYPCS-UHFFFAOYSA-N 0 3 380.444 4.277 20 10 GICDHN COc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)cc(Br)c1OC ZINC000180507307 822693331 /nfs/dbraw/zinc/69/33/31/822693331.db2.gz VOSKQALKVGEYSB-ZDUSSCGKSA-N 0 3 393.325 4.383 20 10 GICDHN C[C@H](NCc1cccnc1OCC(F)(F)F)c1cc2c(cc1O)CCCC2 ZINC000184984855 822721848 /nfs/dbraw/zinc/72/18/48/822721848.db2.gz AEKVTHQTSVUELN-ZDUSSCGKSA-N 0 3 380.410 4.458 20 10 GICDHN CCN(CC)c1ccc(CN[C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185366044 822772648 /nfs/dbraw/zinc/77/26/48/822772648.db2.gz GBCFXXWNGWPKTQ-QHCPKHFHSA-N 0 3 383.511 4.255 20 10 GICDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000174374738 822780247 /nfs/dbraw/zinc/78/02/47/822780247.db2.gz QVSXEJSEFHBVOS-CQSZACIVSA-N 0 3 378.419 4.233 20 10 GICDHN CCCCCNC(=O)C1CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000054490110 822890625 /nfs/dbraw/zinc/89/06/25/822890625.db2.gz YURZTLANKBEVSZ-UHFFFAOYSA-N 0 3 384.520 4.072 20 10 GICDHN O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000054545911 822894561 /nfs/dbraw/zinc/89/45/61/822894561.db2.gz VGEKHDGQRBWSGH-UHFFFAOYSA-N 0 3 392.474 4.213 20 10 GICDHN Cc1c([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1C(C)(C)C ZINC000191203845 823658943 /nfs/dbraw/zinc/65/89/43/823658943.db2.gz STQVPKPJJDFKKW-QGZVFWFLSA-N 0 3 384.568 4.006 20 10 GICDHN CSc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)cc1F ZINC000165179262 823837871 /nfs/dbraw/zinc/83/78/71/823837871.db2.gz KSMXLAPIXZOXKK-CQSZACIVSA-N 0 3 378.488 4.374 20 10 GICDHN CN(Cc1c[nH]nc1-c1cccc(Cl)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000121314308 823161435 /nfs/dbraw/zinc/16/14/35/823161435.db2.gz AQXVTPLBMZLAEL-UHFFFAOYSA-N 0 3 396.922 4.199 20 10 GICDHN C[C@@H](c1ccccc1)N(Cc1cc(=O)n2ccccc2n1)Cc1ccccc1O ZINC000176676019 823264720 /nfs/dbraw/zinc/26/47/20/823264720.db2.gz SKUJVIKYEXRJHW-SFHVURJKSA-N 0 3 385.467 4.164 20 10 GICDHN C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc2ccccc21 ZINC000007242721 817802366 /nfs/dbraw/zinc/80/23/66/817802366.db2.gz WJQWOCYIAPQBGI-GOSISDBHSA-N 0 3 375.516 4.215 20 10 GICDHN C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(OCc2nccn2C)cc1 ZINC000122433115 823353626 /nfs/dbraw/zinc/35/36/26/823353626.db2.gz PCQYCWZLIZRYGE-INIZCTEOSA-N 0 3 382.483 4.055 20 10 GICDHN [O-]c1ccccc1C[N@H+](CCCc1nc(-c2ccccc2)no1)C[C@H]1CCCO1 ZINC000123518614 823516673 /nfs/dbraw/zinc/51/66/73/823516673.db2.gz VDNKVROWZHBCDR-HXUWFJFHSA-N 0 3 393.487 4.056 20 10 GICDHN [O-]c1ccccc1C[N@@H+](CCCc1nc(-c2ccccc2)no1)C[C@H]1CCCO1 ZINC000123518614 823516676 /nfs/dbraw/zinc/51/66/76/823516676.db2.gz VDNKVROWZHBCDR-HXUWFJFHSA-N 0 3 393.487 4.056 20 10 GICDHN CCN(C)c1ccc([C@@H](C)N[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000181399673 821806829 /nfs/dbraw/zinc/80/68/29/821806829.db2.gz UEKUXYDSCPFYFK-KUHUBIRLSA-N 0 3 377.326 4.289 20 10 GICDHN OCC1CCN(c2ccc(CN[C@H]3CCCOc4cc(F)ccc43)cc2)CC1 ZINC000181989710 822054972 /nfs/dbraw/zinc/05/49/72/822054972.db2.gz GZTIOXNIOUEINC-QFIPXVFZSA-N 0 3 384.495 4.038 20 10 GICDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000182468269 822254586 /nfs/dbraw/zinc/25/45/86/822254586.db2.gz WVDOKQWFLYDCIQ-QGZVFWFLSA-N 0 3 390.483 4.281 20 10 GICDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000182467760 822254830 /nfs/dbraw/zinc/25/48/30/822254830.db2.gz NSUFTYRQYDAKTG-MRXNPFEDSA-N 0 3 392.455 4.482 20 10 GICDHN C[C@H]([NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccccc1[O-] ZINC000183475285 822481148 /nfs/dbraw/zinc/48/11/48/822481148.db2.gz MIYWLJKJMJNWEN-KXBFYZLASA-N 0 3 394.437 4.135 20 10 GICDHN CCOCc1cc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)ccc1OC ZINC000051188533 822749903 /nfs/dbraw/zinc/74/99/03/822749903.db2.gz DIMACLBBLNUEBQ-QHCPKHFHSA-N 0 3 383.488 4.244 20 10 GICDHN Cc1ccc([C@@H](NCc2ccccc2O)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000174574492 822806899 /nfs/dbraw/zinc/80/68/99/822806899.db2.gz YUKGDWRTFRIWGF-QHCPKHFHSA-N 0 3 395.524 4.292 20 10 GICDHN COc1cc([C@@H](C)NCc2ccc3c(c2)CCO3)ccc1OCc1ccncc1 ZINC000054175861 822866203 /nfs/dbraw/zinc/86/62/03/822866203.db2.gz KJWFZXTVMRJCOX-QGZVFWFLSA-N 0 3 390.483 4.455 20 10 GICDHN O=C(Nc1cccc(CNCc2ccc3c(c2)CCO3)c1)c1cccc(F)c1 ZINC000054176154 822866207 /nfs/dbraw/zinc/86/62/07/822866207.db2.gz NYCLBSHHEWRGTG-UHFFFAOYSA-N 0 3 376.431 4.303 20 10 GICDHN O=C(c1cccc(CN2CCCC2)c1)N(Cc1ccco1)Cc1ccccc1O ZINC000125316252 823667416 /nfs/dbraw/zinc/66/74/16/823667416.db2.gz YQNVJXADTAOXPX-UHFFFAOYSA-N 0 3 390.483 4.424 20 10 GICDHN COc1ccc([C@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000163409995 823707116 /nfs/dbraw/zinc/70/71/16/823707116.db2.gz UTMCJTHFSWPJML-HNNXBMFYSA-N 0 3 394.437 4.401 20 10 GICDHN C[C@H](NCc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000163634679 823730257 /nfs/dbraw/zinc/73/02/57/823730257.db2.gz ZDLWGOMCRSNPRR-KRWDZBQOSA-N 0 3 384.545 4.252 20 10 GICDHN C[C@@H](N[C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000167785584 823895360 /nfs/dbraw/zinc/89/53/60/823895360.db2.gz ZYZIXVGESWUGPE-IAGOWNOFSA-N 0 3 385.527 4.265 20 10 GICDHN Cc1cc(Cl)c2c(c1)[C@H](NCc1ccc(N3CCOCC3)cc1)CCCO2 ZINC000126586525 823906067 /nfs/dbraw/zinc/90/60/67/823906067.db2.gz NVAFRBKTQBJQCG-OAQYLSRUSA-N 0 3 386.923 4.489 20 10 GICDHN COc1ccc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1C ZINC000065014571 823924654 /nfs/dbraw/zinc/92/46/54/823924654.db2.gz RKYHNLCFQXLIDL-UHFFFAOYSA-N 0 3 375.394 4.498 20 10 GICDHN CCSc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)ccn1 ZINC000187795322 823134812 /nfs/dbraw/zinc/13/48/12/823134812.db2.gz PPOXSWDWDNTMND-HNNXBMFYSA-N 0 3 375.513 4.020 20 10 GICDHN Fc1cc(CN[C@H]2CCCOc3cc4c(cc32)CCC4)ccc1N1CCOCC1 ZINC000121965290 823285872 /nfs/dbraw/zinc/28/58/72/823285872.db2.gz IKTUXLDBADJKRA-QFIPXVFZSA-N 0 3 396.506 4.155 20 10 GICDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(OCc2nccn2C)cc1 ZINC000122433306 823353485 /nfs/dbraw/zinc/35/34/85/823353485.db2.gz PCQYCWZLIZRYGE-MRXNPFEDSA-N 0 3 382.483 4.055 20 10 GICDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1 ZINC000182439953 822243555 /nfs/dbraw/zinc/24/35/55/822243555.db2.gz FBWXSEIYNQBLRN-HUUCEWRRSA-N 0 3 382.460 4.017 20 10 GICDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000182467642 822254660 /nfs/dbraw/zinc/25/46/60/822254660.db2.gz JCWDXWBXIMHMIJ-NSHDSACASA-N 0 3 382.432 4.005 20 10 GICDHN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183027399 822413854 /nfs/dbraw/zinc/41/38/54/822413854.db2.gz KFJMQCSHQNJMLJ-HXUWFJFHSA-N 0 3 396.531 4.100 20 10 GICDHN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183027399 822413857 /nfs/dbraw/zinc/41/38/57/822413857.db2.gz KFJMQCSHQNJMLJ-HXUWFJFHSA-N 0 3 396.531 4.100 20 10 GICDHN CCOc1ccccc1Oc1ccc(CNCc2cc(OC)ccc2O)cn1 ZINC000179898998 822573365 /nfs/dbraw/zinc/57/33/65/822573365.db2.gz BYTDFTGEGGXKSF-UHFFFAOYSA-N 0 3 380.444 4.277 20 10 GICDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c([O-])c1 ZINC000185306615 822762873 /nfs/dbraw/zinc/76/28/73/822762873.db2.gz VJYCVZGQMXRZLR-QZTJIDSGSA-N 0 3 381.520 4.369 20 10 GICDHN COc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c2ccccc2n1 ZINC000125003024 823644159 /nfs/dbraw/zinc/64/41/59/823644159.db2.gz WKIIIFUCNZVZTQ-INIZCTEOSA-N 0 3 395.478 4.070 20 10 GICDHN Fc1ccc2c(c1)CC[C@@H]2NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000163391805 823705865 /nfs/dbraw/zinc/70/58/65/823705865.db2.gz KOPYQTHXKCUTAT-FQEVSTJZSA-N 0 3 394.412 4.458 20 10 GICDHN CCCOCc1ccccc1CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163651169 823732331 /nfs/dbraw/zinc/73/23/31/823732331.db2.gz LWRWIVMZBZZZMD-SFHVURJKSA-N 0 3 386.511 4.440 20 10 GICDHN CC[C@H](NCc1cc(OC)c(OC)cc1Br)c1ccccc1O ZINC000121094822 823117596 /nfs/dbraw/zinc/11/75/96/823117596.db2.gz OZCCHGCFSFSTKW-HNNXBMFYSA-N 0 3 380.282 4.413 20 10 GICDHN O=C(NC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1)c1ccccc1 ZINC000123042790 823452520 /nfs/dbraw/zinc/45/25/20/823452520.db2.gz QWNWJKKMKNWLOU-UHFFFAOYSA-N 0 3 377.532 4.071 20 10 GICDHN CCc1ccc2c(CN[C@H](C)c3ccc(N4CCOCC4)cc3)cc(=O)oc2c1 ZINC000123302430 823492940 /nfs/dbraw/zinc/49/29/40/823492940.db2.gz ZOMFMRRXCNHWDK-QGZVFWFLSA-N 0 3 392.499 4.043 20 10 GICDHN COc1ccc(O)c(CNc2ccc(NC(=O)CN3CCCCCCC3)cc2)c1 ZINC000181019251 821596604 /nfs/dbraw/zinc/59/66/04/821596604.db2.gz HNISAUIEOVPYBS-UHFFFAOYSA-N 0 3 397.519 4.218 20 10 GICDHN C[C@H](NCc1cccc(Br)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178163408 822337407 /nfs/dbraw/zinc/33/74/07/822337407.db2.gz ZADWOODXMGWEJP-AWEZNQCLSA-N 0 3 393.300 4.276 20 10 GICDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000183160210 822433288 /nfs/dbraw/zinc/43/32/88/822433288.db2.gz XTPNNNKGJXZLEJ-KNQAVFIVSA-N 0 3 385.529 4.116 20 10 GICDHN C[C@@H]([NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccccc1[O-] ZINC000183475307 822481085 /nfs/dbraw/zinc/48/10/85/822481085.db2.gz MIYWLJKJMJNWEN-BEFAXECRSA-N 0 3 394.437 4.135 20 10 GICDHN C[C@H]([NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccccc1[O-] ZINC000183475327 822481225 /nfs/dbraw/zinc/48/12/25/822481225.db2.gz MIYWLJKJMJNWEN-HNAYVOBHSA-N 0 3 394.437 4.135 20 10 GICDHN COc1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C ZINC000048745174 822680748 /nfs/dbraw/zinc/68/07/48/822680748.db2.gz CHVUUZHCLOAJQQ-UHFFFAOYSA-N 0 3 394.437 4.149 20 10 GICDHN COc1cc(Br)cc(C[N@H+](CCC(F)(F)F)CC2CC2)c1[O-] ZINC000180536993 822698241 /nfs/dbraw/zinc/69/82/41/822698241.db2.gz PUHIFYVAZICHCJ-UHFFFAOYSA-N 0 3 382.220 4.328 20 10 GICDHN COc1cc(Br)cc(C[N@@H+](CCC(F)(F)F)CC2CC2)c1[O-] ZINC000180536993 822698242 /nfs/dbraw/zinc/69/82/42/822698242.db2.gz PUHIFYVAZICHCJ-UHFFFAOYSA-N 0 3 382.220 4.328 20 10 GICDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000174374722 822780232 /nfs/dbraw/zinc/78/02/32/822780232.db2.gz QVSXEJSEFHBVOS-AWEZNQCLSA-N 0 3 378.419 4.233 20 10 GICDHN COc1cccc(Oc2ncccc2CN[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000185535957 822794436 /nfs/dbraw/zinc/79/44/36/822794436.db2.gz ZONJIXIQLBDHGV-HNNXBMFYSA-N 0 3 380.444 4.448 20 10 GICDHN CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000186101438 822851938 /nfs/dbraw/zinc/85/19/38/822851938.db2.gz GBRHHEXGHRYTQT-JKSUJKDBSA-N 0 3 388.483 4.238 20 10 GICDHN COc1ccc2c(c1)[C@H](NCc1ccc(N3CCC(CO)CC3)cc1)CCS2 ZINC000191500642 823692049 /nfs/dbraw/zinc/69/20/49/823692049.db2.gz UUPWRCUDCJQKLJ-JOCHJYFZSA-N 0 3 398.572 4.231 20 10 GICDHN COc1ccc2c(c1)[C@@H](NCc1ccc(N3CCSCC3)cc1)CCCO2 ZINC000163579249 823724572 /nfs/dbraw/zinc/72/45/72/823724572.db2.gz JFVGDBPMCPFXMC-NRFANRHFSA-N 0 3 384.545 4.252 20 10 GICDHN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000163634799 823730433 /nfs/dbraw/zinc/73/04/33/823730433.db2.gz ZDLWGOMCRSNPRR-QGZVFWFLSA-N 0 3 384.545 4.252 20 10 GICDHN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000121631766 823219332 /nfs/dbraw/zinc/21/93/32/823219332.db2.gz FEFRCMOGGSCADH-HZPDHXFCSA-N 0 3 385.483 4.033 20 10 GICDHN C[C@@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1 ZINC000178102016 822319995 /nfs/dbraw/zinc/31/99/95/822319995.db2.gz ZJCOKJYJDJMHDI-GOSISDBHSA-N 0 3 396.531 4.329 20 10 GICDHN C[C@@H](NCc1ccccc1CS(C)(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000178296617 822364496 /nfs/dbraw/zinc/36/44/96/822364496.db2.gz CSFFIALCOHESBL-GOSISDBHSA-N 0 3 386.561 4.072 20 10 GICDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000183160170 822433258 /nfs/dbraw/zinc/43/32/58/822433258.db2.gz XTPNNNKGJXZLEJ-DENIHFKCSA-N 0 3 385.529 4.116 20 10 GICDHN COc1cc(-c2noc(CCCCC[NH2+][C@@H](C)c3ccccc3[O-])n2)ccc1O ZINC000183605241 822500354 /nfs/dbraw/zinc/50/03/54/822500354.db2.gz NEQUTFAWFKVCBV-HNNXBMFYSA-N 0 3 397.475 4.220 20 10 GICDHN O=C(Nc1ccccc1Br)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179568087 822504902 /nfs/dbraw/zinc/50/49/02/822504902.db2.gz WVIXPAKYKUWXPU-UHFFFAOYSA-N 0 3 389.293 4.005 20 10 GICDHN CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185362578 822771975 /nfs/dbraw/zinc/77/19/75/822771975.db2.gz JBOFGTDCWJUKPS-HZPDHXFCSA-N 0 3 389.490 4.224 20 10 GICDHN COc1cc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)ccc1SC ZINC000165190564 823838958 /nfs/dbraw/zinc/83/89/58/823838958.db2.gz AVQREVQTDKFZHL-OAHLLOKOSA-N 0 3 390.524 4.244 20 10 GICDHN CC[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1OCC(=O)N(C)C ZINC000165677688 823858351 /nfs/dbraw/zinc/85/83/51/823858351.db2.gz NFUNQIBFBALSGR-DYESRHJHSA-N 0 3 383.536 4.022 20 10 GICDHN C[C@@H](N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1ccc(N(C)C)cc1 ZINC000167785373 823895039 /nfs/dbraw/zinc/89/50/39/823895039.db2.gz ZYZIXVGESWUGPE-SJORKVTESA-N 0 3 385.527 4.265 20 10 GICDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1[O-] ZINC000187379891 823052668 /nfs/dbraw/zinc/05/26/68/823052668.db2.gz KRDFVIWGZCSRRB-SUYBPPKGSA-N 0 3 386.355 4.168 20 10 GICDHN CC(C)(O)c1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2[O-])cc1 ZINC000187524590 823081275 /nfs/dbraw/zinc/08/12/75/823081275.db2.gz AESNCLIKSFDVBV-UHFFFAOYSA-N 0 3 377.484 4.488 20 10 GICDHN Fc1cc(CN[C@@H]2CCCOc3cc4c(cc32)CCC4)ccc1N1CCOCC1 ZINC000121965143 823285881 /nfs/dbraw/zinc/28/58/81/823285881.db2.gz IKTUXLDBADJKRA-JOCHJYFZSA-N 0 3 396.506 4.155 20 10 GICDHN COc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)ccc1OC(F)F ZINC000176798912 823295382 /nfs/dbraw/zinc/29/53/82/823295382.db2.gz BFASABSIENIZQT-QGZVFWFLSA-N 0 3 393.430 4.183 20 10 GICDHN COc1cc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)ccc1OC(F)F ZINC000176798912 823295386 /nfs/dbraw/zinc/29/53/86/823295386.db2.gz BFASABSIENIZQT-QGZVFWFLSA-N 0 3 393.430 4.183 20 10 GICDHN COc1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)ccc1OC(F)F ZINC000176798912 823295390 /nfs/dbraw/zinc/29/53/90/823295390.db2.gz BFASABSIENIZQT-QGZVFWFLSA-N 0 3 393.430 4.183 20 10 GICDHN COc1ccc(CNCc2ccc(N(C)C)cc2)cc1OCc1cccnc1 ZINC000030545862 820637360 /nfs/dbraw/zinc/63/73/60/820637360.db2.gz BVIXGNTYNZCAND-UHFFFAOYSA-N 0 3 377.488 4.025 20 10 GICDHN COc1ccc(O)c([C@@H](C)NCC(=O)N[C@@H](C)c2cccc3ccccc32)c1 ZINC000182338855 822207502 /nfs/dbraw/zinc/20/75/02/822207502.db2.gz WKEGTIQJLMEIEA-CVEARBPZSA-N 0 3 378.472 4.082 20 10 GICDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@H](c2cccs2)C(C)(C)C)c1 ZINC000182436626 822242237 /nfs/dbraw/zinc/24/22/37/822242237.db2.gz PGOIBYCHJIWRRD-ORAYPTAESA-N 0 3 376.522 4.017 20 10 GICDHN OCC1CCN(c2ccc(CN[C@@H]3CCSc4c(F)cccc43)cc2)CC1 ZINC000178538331 822389544 /nfs/dbraw/zinc/38/95/44/822389544.db2.gz BCMTYNGCIHAYQR-OAQYLSRUSA-N 0 3 386.536 4.361 20 10 GICDHN CC(=O)N1CC[C@@H](NCc2ccc(N3CCCCC3)cc2)c2ccc(F)cc2C1 ZINC000185350902 822769621 /nfs/dbraw/zinc/76/96/21/822769621.db2.gz WAEWMFUMGVGWJR-XMMPIXPASA-N 0 3 395.522 4.399 20 10 GICDHN Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3cc(Cl)ccc3[O-])CC2)oc1C ZINC000185430029 822782897 /nfs/dbraw/zinc/78/28/97/822782897.db2.gz ZHCPLSRWDDNPGF-AWEZNQCLSA-N 0 3 377.916 4.213 20 10 GICDHN CC1(C)OCc2cc(CNCc3ccc(N4CCSCC4)cc3)ccc2O1 ZINC000186367293 822882849 /nfs/dbraw/zinc/88/28/49/822882849.db2.gz UOFLZHIKMSWTJC-UHFFFAOYSA-N 0 3 384.545 4.175 20 10 GICDHN Cc1cc2c(cc1C)[C@@H](NCc1ccc(N3CCOCC3)c(F)c1)CCCO2 ZINC000165185907 823838445 /nfs/dbraw/zinc/83/84/45/823838445.db2.gz KXAAKUBUUMNYIS-NRFANRHFSA-N 0 3 384.495 4.283 20 10 GICDHN CC[C@H](N[C@H](C)c1ccc(N(C)C)cc1)c1ccccc1OCC(=O)N(C)C ZINC000165677571 823858521 /nfs/dbraw/zinc/85/85/21/823858521.db2.gz NFUNQIBFBALSGR-UTKZUKDTSA-N 0 3 383.536 4.022 20 10 GICDHN CCOc1ccccc1C(=O)N1CCC([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000359972652 209208184 /nfs/dbraw/zinc/20/81/84/209208184.db2.gz GIGFSTNEPTWKHC-QGZVFWFLSA-N 0 3 382.504 4.055 20 10 GICDHN C[C@H](N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178125407 822327097 /nfs/dbraw/zinc/32/70/97/822327097.db2.gz UHYWHKKZZYEXOI-PDIWNELESA-N 0 3 384.495 4.233 20 10 GICDHN CCCOc1ccc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000178536501 822389290 /nfs/dbraw/zinc/38/92/90/822389290.db2.gz QTKMVOZRQRZRBQ-KRWDZBQOSA-N 0 3 386.511 4.426 20 10 GICDHN C[C@H](NCc1ccc(Br)s1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178713919 822405089 /nfs/dbraw/zinc/40/50/89/822405089.db2.gz LQVASGTYIHFINH-LBPRGKRZSA-N 0 3 399.329 4.337 20 10 GICDHN O=[N+]([O-])c1cc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cs1 ZINC000174621312 822813567 /nfs/dbraw/zinc/81/35/67/822813567.db2.gz USMHNDSFDWURRW-CYBMUJFWSA-N 0 3 383.420 4.016 20 10 GICDHN Cc1ccc(NC(=O)C2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)nc1 ZINC000054388875 822880815 /nfs/dbraw/zinc/88/08/15/822880815.db2.gz OSPBFQYNWCQLSO-UHFFFAOYSA-N 0 3 375.472 4.100 20 10 GICDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186480113 822901905 /nfs/dbraw/zinc/90/19/05/822901905.db2.gz RLNOJJPUPSMRQM-UHFFFAOYSA-N 0 3 385.529 4.069 20 10 GICDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186480113 822901909 /nfs/dbraw/zinc/90/19/09/822901909.db2.gz RLNOJJPUPSMRQM-UHFFFAOYSA-N 0 3 385.529 4.069 20 10 GICDHN C[C@@H](NCc1cccnc1-n1cccn1)c1ccc(N2CCCCC2)c(F)c1 ZINC000177902975 823544237 /nfs/dbraw/zinc/54/42/37/823544237.db2.gz DQBCUSZTCNBIGN-QGZVFWFLSA-N 0 3 379.483 4.248 20 10 GICDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl)[C@H](O)c1ccc(F)cc1 ZINC000124375743 823591571 /nfs/dbraw/zinc/59/15/71/823591571.db2.gz IQSWOWODDYXWGO-ZSDSOXJFSA-N 0 3 392.902 4.088 20 10 GICDHN Cc1c([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)cnn1C(C)(C)C ZINC000191203866 823658904 /nfs/dbraw/zinc/65/89/04/823658904.db2.gz STQVPKPJJDFKKW-KRWDZBQOSA-N 0 3 384.568 4.006 20 10 GICDHN COc1cc(CN2CCC(NC(=O)OC(C)(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000164173162 823783677 /nfs/dbraw/zinc/78/36/77/823783677.db2.gz ZGIAYJGWQOOXBP-UHFFFAOYSA-N 0 3 392.540 4.187 20 10 GICDHN Cc1cc(C)c2c(c1)[C@@H](NCc1ccc(N3CCOCC3)c(F)c1)CCCO2 ZINC000165193449 823838842 /nfs/dbraw/zinc/83/88/42/823838842.db2.gz RPJHZTTVCWEBPD-NRFANRHFSA-N 0 3 384.495 4.283 20 10 GICDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000122680769 823393481 /nfs/dbraw/zinc/39/34/81/823393481.db2.gz UZRAKKYJLIJBNI-KRWDZBQOSA-N 0 3 387.955 4.402 20 10 GICDHN Cc1cc(N(C)C)ccc1CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000122680975 823393494 /nfs/dbraw/zinc/39/34/94/823393494.db2.gz UZRAKKYJLIJBNI-QGZVFWFLSA-N 0 3 387.955 4.402 20 10 GICDHN CC(C)(C)OC(=O)N1Cc2ccc(CNCc3ccc4c(c3)CCO4)cc2C1 ZINC000189580558 823450799 /nfs/dbraw/zinc/45/07/99/823450799.db2.gz IVSGJZQCYUIAPU-UHFFFAOYSA-N 0 3 380.488 4.162 20 10 GICDHN CCN(CC)C(=O)CCC1CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000181426181 821820682 /nfs/dbraw/zinc/82/06/82/821820682.db2.gz QZSSPKOZFDAVED-UHFFFAOYSA-N 0 3 398.547 4.415 20 10 GICDHN Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183117409 822426646 /nfs/dbraw/zinc/42/66/46/822426646.db2.gz UPOIZICNUJKTQH-NRFANRHFSA-N 0 3 377.488 4.214 20 10 GICDHN Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183117409 822426649 /nfs/dbraw/zinc/42/66/49/822426649.db2.gz UPOIZICNUJKTQH-NRFANRHFSA-N 0 3 377.488 4.214 20 10 GICDHN CN(Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCCc2c1cnn2C ZINC000183117409 822426652 /nfs/dbraw/zinc/42/66/52/822426652.db2.gz UPOIZICNUJKTQH-NRFANRHFSA-N 0 3 377.488 4.214 20 10 GICDHN CCOCc1cc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)ccc1OC ZINC000179569986 822505256 /nfs/dbraw/zinc/50/52/56/822505256.db2.gz ASAXSZIFXYFCIM-OAQYLSRUSA-N 0 3 385.504 4.119 20 10 GICDHN CCOCc1cc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)ccc1OC ZINC000179569986 822505257 /nfs/dbraw/zinc/50/52/57/822505257.db2.gz ASAXSZIFXYFCIM-OAQYLSRUSA-N 0 3 385.504 4.119 20 10 GICDHN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1[O-])C[C@H](O)COCc1ccco1 ZINC000179642932 822518610 /nfs/dbraw/zinc/51/86/10/822518610.db2.gz CQFKTCXIYHJJTB-NQIIRXRSSA-N 0 3 381.472 4.126 20 10 GICDHN C[C@H](c1ccccc1)[N@H+](Cc1ccccc1[O-])C[C@H](O)COCc1ccco1 ZINC000179642932 822518615 /nfs/dbraw/zinc/51/86/15/822518615.db2.gz CQFKTCXIYHJJTB-NQIIRXRSSA-N 0 3 381.472 4.126 20 10 GICDHN CCN1CCN(c2cccc(NC(=O)c3ccc(F)cc3C(F)(F)F)c2)CC1 ZINC000184260183 822604936 /nfs/dbraw/zinc/60/49/36/822604936.db2.gz WCNGPFFVRHADKW-UHFFFAOYSA-N 0 3 395.400 4.239 20 10 GICDHN CCOCc1cc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)ccc1OC ZINC000051188532 822749931 /nfs/dbraw/zinc/74/99/31/822749931.db2.gz DIMACLBBLNUEBQ-HSZRJFAPSA-N 0 3 383.488 4.244 20 10 GICDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)c([O-])c1 ZINC000185306594 822762815 /nfs/dbraw/zinc/76/28/15/822762815.db2.gz VJYCVZGQMXRZLR-ROUUACIJSA-N 0 3 381.520 4.369 20 10 GICDHN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185306797 822763079 /nfs/dbraw/zinc/76/30/79/822763079.db2.gz BPGSNYINYYELBG-HZPDHXFCSA-N 0 3 385.483 4.199 20 10 GICDHN CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000186101382 822851814 /nfs/dbraw/zinc/85/18/14/822851814.db2.gz GBRHHEXGHRYTQT-CVEARBPZSA-N 0 3 388.483 4.238 20 10 GICDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)c1[O-] ZINC000187202587 823024476 /nfs/dbraw/zinc/02/44/76/823024476.db2.gz AXFVCJUJMSALEX-RYUDHWBXSA-N 0 3 392.297 4.366 20 10 GICDHN Cc1cc(C)c2c(c1)[C@H](NCc1ccc(N3CCOCC3)c(F)c1)CCCO2 ZINC000165193328 823839003 /nfs/dbraw/zinc/83/90/03/823839003.db2.gz RPJHZTTVCWEBPD-OAQYLSRUSA-N 0 3 384.495 4.283 20 10 GICDHN Fc1cc(CNCc2ccc(N3CCSCC3)cc2)ccc1OC(F)F ZINC000168079770 823900213 /nfs/dbraw/zinc/90/02/13/823900213.db2.gz NCVONUGVOQXRDK-UHFFFAOYSA-N 0 3 382.451 4.270 20 10 GICDHN CC1CCN(c2ccc(CNCc3ccc4c(c3)sc(=O)n4C)cc2)CC1 ZINC000192557189 824030520 /nfs/dbraw/zinc/03/05/20/824030520.db2.gz ULTVLTAXAHIRLW-UHFFFAOYSA-N 0 3 381.545 4.126 20 10 GICDHN COc1ccc2ccc([O-])c(C[N@@H+]3CCc4cc(OC)c(OC)cc4C3)c2c1 ZINC000007076537 817754248 /nfs/dbraw/zinc/75/42/48/817754248.db2.gz ZGCNAZQXZNKIJC-UHFFFAOYSA-N 0 3 379.456 4.130 20 10 GICDHN COc1ccc2ccc([O-])c(C[N@H+]3CCc4cc(OC)c(OC)cc4C3)c2c1 ZINC000007076537 817754255 /nfs/dbraw/zinc/75/42/55/817754255.db2.gz ZGCNAZQXZNKIJC-UHFFFAOYSA-N 0 3 379.456 4.130 20 10 GICDHN O=C(c1cccc(F)c1)N1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000026615995 820121336 /nfs/dbraw/zinc/12/13/36/820121336.db2.gz GHXQTEAZUHCSRM-UHFFFAOYSA-N 0 3 378.447 4.033 20 10 GICDHN O=C(c1cccc(F)c1)N1CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000026615995 820121344 /nfs/dbraw/zinc/12/13/44/820121344.db2.gz GHXQTEAZUHCSRM-UHFFFAOYSA-N 0 3 378.447 4.033 20 10 GICDHN Cc1ccc2c(CN[C@@H](C)c3ccc(N4CCOCC4)cc3)cc(=O)oc2c1C ZINC000123303994 823493478 /nfs/dbraw/zinc/49/34/78/823493478.db2.gz RCKKVGISGISRQF-SFHVURJKSA-N 0 3 392.499 4.097 20 10 GICDHN Cc1nc(C)c([C@@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 ZINC000178189351 822347091 /nfs/dbraw/zinc/34/70/91/822347091.db2.gz ARVCJUASOWLUQX-GFCCVEGCSA-N 0 3 399.482 4.466 20 10 GICDHN CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@@H](C)c2ccc(C)cc2[O-])cc1 ZINC000186101304 822851885 /nfs/dbraw/zinc/85/18/85/822851885.db2.gz AWOLYWLBGUESHY-MSOLQXFVSA-N 0 3 384.520 4.408 20 10 GICDHN C[C@H](N[C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1Cl ZINC000124375354 823591462 /nfs/dbraw/zinc/59/14/62/823591462.db2.gz IQSWOWODDYXWGO-GXZWQRSESA-N 0 3 392.902 4.088 20 10 GICDHN Fc1ccc2c(c1)[C@@H](NCc1ccc(N3CCOCC3)cc1C(F)(F)F)CC2 ZINC000163403385 823706845 /nfs/dbraw/zinc/70/68/45/823706845.db2.gz HMBZSJJXFWTKSX-FQEVSTJZSA-N 0 3 394.412 4.458 20 10 GICDHN Cc1cc(Cl)c2c(c1)[C@@H](NCc1ccc(N3CCOCC3)cc1)CCCO2 ZINC000126586362 823905836 /nfs/dbraw/zinc/90/58/36/823905836.db2.gz NVAFRBKTQBJQCG-NRFANRHFSA-N 0 3 386.923 4.489 20 10 GICDHN C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc2ccccc21 ZINC000007242703 817802452 /nfs/dbraw/zinc/80/24/52/817802452.db2.gz WJQWOCYIAPQBGI-SFHVURJKSA-N 0 3 375.516 4.215 20 10 GICDHN CCCN(C(=O)c1cccs1)C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000180749297 821433299 /nfs/dbraw/zinc/43/32/99/821433299.db2.gz YSQXKYSFLFOXSP-UHFFFAOYSA-N 0 3 385.577 4.331 20 10 GICDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000181236341 821712201 /nfs/dbraw/zinc/71/22/01/821712201.db2.gz XWQIIPHWSMEEAD-JKSUJKDBSA-N 0 3 387.455 4.291 20 10 GICDHN COc1ccc(O)c([C@@H](C)NCC(=O)N[C@H](c2cccs2)C(C)(C)C)c1 ZINC000182436648 822242122 /nfs/dbraw/zinc/24/21/22/822242122.db2.gz PGOIBYCHJIWRRD-BFUOFWGJSA-N 0 3 376.522 4.017 20 10 GICDHN C[C@H](NCc1ccc(-n2cncn2)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000178741956 822406506 /nfs/dbraw/zinc/40/65/06/822406506.db2.gz BXWVKRLVVDBDNJ-KRWDZBQOSA-N 0 3 379.483 4.248 20 10 GICDHN Cn1cc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c(-c2cccs2)n1 ZINC000183513543 822488303 /nfs/dbraw/zinc/48/83/03/822488303.db2.gz WSLIKFHPYTUCBW-GOSISDBHSA-N 0 3 383.517 4.035 20 10 GICDHN Cn1cc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c(-c2cccs2)n1 ZINC000183513543 822488307 /nfs/dbraw/zinc/48/83/07/822488307.db2.gz WSLIKFHPYTUCBW-GOSISDBHSA-N 0 3 383.517 4.035 20 10 GICDHN C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000184894288 822708957 /nfs/dbraw/zinc/70/89/57/822708957.db2.gz TYTDZSUKMDNCCJ-SFHVURJKSA-N 0 3 376.500 4.228 20 10 GICDHN C[C@H]([NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc(F)ccc1[O-] ZINC000185024910 822726696 /nfs/dbraw/zinc/72/66/96/822726696.db2.gz SSSPERBIFWDPLR-LBPRGKRZSA-N 0 3 383.389 4.265 20 10 GICDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccccc1Br ZINC000174372452 822779937 /nfs/dbraw/zinc/77/99/37/822779937.db2.gz KOVSUMHTIHYQOQ-AWEZNQCLSA-N 0 3 391.309 4.394 20 10 GICDHN CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])cc1 ZINC000186959082 822987276 /nfs/dbraw/zinc/98/72/76/822987276.db2.gz ZVJGDOAWOMHFBY-LBPRGKRZSA-N 0 3 377.282 4.272 20 10 GICDHN COc1ccc(O)c(CNCc2cn(Cc3ccccc3)nc2C(C)(C)C)c1 ZINC000125532898 823683229 /nfs/dbraw/zinc/68/32/29/823683229.db2.gz HVWCOMVSAXVQRK-UHFFFAOYSA-N 0 3 379.504 4.233 20 10 GICDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1[O-] ZINC000187379905 823052695 /nfs/dbraw/zinc/05/26/95/823052695.db2.gz KRDFVIWGZCSRRB-DXCKQFNASA-N 0 3 386.355 4.168 20 10 GICDHN Cc1cccn2c(=O)cc(CN(Cc3ccccc3O)[C@H](C)c3ccccc3)nc12 ZINC000176694419 823269516 /nfs/dbraw/zinc/26/95/16/823269516.db2.gz CMCRMZXSDXDZDT-LJQANCHMSA-N 0 3 399.494 4.472 20 10 GICDHN CN(C)c1ccc(CNCc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000017318044 818509467 /nfs/dbraw/zinc/50/94/67/818509467.db2.gz ZEUZHGBAVRZALI-UHFFFAOYSA-N 0 3 383.499 4.290 20 10 GICDHN COc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1OCc1cccnc1 ZINC000058474632 823397034 /nfs/dbraw/zinc/39/70/34/823397034.db2.gz MDAFOCSYTZRBAU-UHFFFAOYSA-N 0 3 395.478 4.164 20 10 GICDHN COCCc1nc(C)c([C@H](C)NCc2ccc(N3CCSCC3)cc2)s1 ZINC000181384128 821798923 /nfs/dbraw/zinc/79/89/23/821798923.db2.gz ASGSWVNISRBXTF-HNNXBMFYSA-N 0 3 391.606 4.044 20 10 GICDHN C[C@H](NCc1ccccc1CS(C)(=O)=O)c1ccc(N2CCCCC2)cc1 ZINC000178296606 822364507 /nfs/dbraw/zinc/36/45/07/822364507.db2.gz CSFFIALCOHESBL-SFHVURJKSA-N 0 3 386.561 4.072 20 10 GICDHN C[C@@H](NCc1ccc(Br)s1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178713927 822405049 /nfs/dbraw/zinc/40/50/49/822405049.db2.gz LQVASGTYIHFINH-GFCCVEGCSA-N 0 3 399.329 4.337 20 10 GICDHN COC(=O)COc1ccccc1[C@H](C)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000183566422 822495494 /nfs/dbraw/zinc/49/54/94/822495494.db2.gz IMZBQBWCQXJVBR-IBGZPJMESA-N 0 3 396.531 4.326 20 10 GICDHN CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000179948105 822583463 /nfs/dbraw/zinc/58/34/63/822583463.db2.gz HGRYIMMYXQRHOW-GOSISDBHSA-N 0 3 386.561 4.321 20 10 GICDHN COc1cccc(Oc2ccc(CN[C@H](C)c3cc(OC)ccc3O)cn2)c1 ZINC000185057420 822730282 /nfs/dbraw/zinc/73/02/82/822730282.db2.gz CTHWVVIAAXWMSA-OAHLLOKOSA-N 0 3 380.444 4.448 20 10 GICDHN C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1)c1cc(F)ccc1[O-] ZINC000185306782 822763021 /nfs/dbraw/zinc/76/30/21/822763021.db2.gz BPGSNYINYYELBG-JKSUJKDBSA-N 0 3 385.483 4.199 20 10 GICDHN C[C@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1cc(F)ccc1[O-] ZINC000185447367 822785403 /nfs/dbraw/zinc/78/54/03/822785403.db2.gz MJQKAKPOJSUOMK-HNNXBMFYSA-N 0 3 394.450 4.099 20 10 GICDHN COc1cc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)ccc1SC ZINC000165190440 823839063 /nfs/dbraw/zinc/83/90/63/823839063.db2.gz AVQREVQTDKFZHL-HNNXBMFYSA-N 0 3 390.524 4.244 20 10 GICDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000181236375 821712422 /nfs/dbraw/zinc/71/24/22/821712422.db2.gz XWQIIPHWSMEEAD-HZPDHXFCSA-N 0 3 387.455 4.291 20 10 GICDHN COc1ccc(O)c([C@H](C)NCC(=O)N(Cc2cccc(F)c2)C(C)(C)C)c1 ZINC000182435701 822242077 /nfs/dbraw/zinc/24/20/77/822242077.db2.gz ONDRNZDIGZJBKK-HNNXBMFYSA-N 0 3 388.483 4.018 20 10 GICDHN Cc1nc(C)c([C@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 ZINC000178189363 822347329 /nfs/dbraw/zinc/34/73/29/822347329.db2.gz ARVCJUASOWLUQX-LBPRGKRZSA-N 0 3 399.482 4.466 20 10 GICDHN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2ccccc2n1 ZINC000178538559 822389366 /nfs/dbraw/zinc/38/93/66/822389366.db2.gz JBQLWPFYMAOVCL-SFHVURJKSA-N 0 3 375.516 4.294 20 10 GICDHN COc1cc([C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])ccc1OCc1ccncc1 ZINC000180487649 822689966 /nfs/dbraw/zinc/68/99/66/822689966.db2.gz DSVOWENPLJKKIZ-OAHLLOKOSA-N 0 3 382.435 4.365 20 10 GICDHN C[C@@H](NCc1cccc(OCC(F)F)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000180528999 822696669 /nfs/dbraw/zinc/69/66/69/822696669.db2.gz YXNPIPXBGZNOSQ-OAHLLOKOSA-N 0 3 394.437 4.157 20 10 GICDHN Cc1ccc([C@H](C)[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c([O-])c1 ZINC000185024824 822726654 /nfs/dbraw/zinc/72/66/54/822726654.db2.gz BYWUHSMJLPMXHZ-AWEZNQCLSA-N 0 3 379.426 4.434 20 10 GICDHN Cc1ccc([C@H](NCc2ccccc2O)c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000174574475 822806927 /nfs/dbraw/zinc/80/69/27/822806927.db2.gz YUKGDWRTFRIWGF-HSZRJFAPSA-N 0 3 395.524 4.292 20 10 GICDHN O=C(CCc1ccccc1)N1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000175239497 822911767 /nfs/dbraw/zinc/91/17/67/822911767.db2.gz JSPAGOXBVMHVAJ-UHFFFAOYSA-N 0 3 388.511 4.213 20 10 GICDHN O=C(CCc1ccccc1)N1CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000175239497 822911770 /nfs/dbraw/zinc/91/17/70/822911770.db2.gz JSPAGOXBVMHVAJ-UHFFFAOYSA-N 0 3 388.511 4.213 20 10 GICDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)c1[O-] ZINC000187202605 823024377 /nfs/dbraw/zinc/02/43/77/823024377.db2.gz AXFVCJUJMSALEX-VXGBXAGGSA-N 0 3 392.297 4.366 20 10 GICDHN C[C@@H](NCc1ccc(N2CCSCC2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000163622612 823728756 /nfs/dbraw/zinc/72/87/56/823728756.db2.gz GOXNNHRQGPGCMQ-LJQANCHMSA-N 0 3 392.572 4.335 20 10 GICDHN CCCOCc1ccccc1CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163651285 823732386 /nfs/dbraw/zinc/73/23/86/823732386.db2.gz LWRWIVMZBZZZMD-GOSISDBHSA-N 0 3 386.511 4.440 20 10 GICDHN Cc1cccn2c(=O)cc(CN(Cc3ccccc3O)[C@@H](C)c3ccccc3)nc12 ZINC000176694400 823269583 /nfs/dbraw/zinc/26/95/83/823269583.db2.gz CMCRMZXSDXDZDT-IBGZPJMESA-N 0 3 399.494 4.472 20 10 GICDHN Cc1cc(Cl)cc2c1OCCC[C@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000122014537 823293179 /nfs/dbraw/zinc/29/31/79/823293179.db2.gz ANQHYRWQGJCJAP-OAQYLSRUSA-N 0 3 386.923 4.489 20 10 GICDHN CN(C)c1ccc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1F ZINC000058474655 823396911 /nfs/dbraw/zinc/39/69/11/823396911.db2.gz TZKPVXOJEJIJED-UHFFFAOYSA-N 0 3 392.400 4.386 20 10 GICDHN COc1cccc([C@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000177227674 823404526 /nfs/dbraw/zinc/40/45/26/823404526.db2.gz PGHFTRYTYVSSRW-HNNXBMFYSA-N 0 3 394.437 4.401 20 10 GICDHN CCN(C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1)CC(F)(F)F ZINC000177636683 823505511 /nfs/dbraw/zinc/50/55/11/823505511.db2.gz YXEHRXQCMJMXHR-HNNXBMFYSA-N 0 3 396.453 4.260 20 10 GICDHN CCN(C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1)CC(F)(F)F ZINC000177636683 823505514 /nfs/dbraw/zinc/50/55/14/823505514.db2.gz YXEHRXQCMJMXHR-HNNXBMFYSA-N 0 3 396.453 4.260 20 10 GICDHN CN(C)Cc1cccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000044277383 821558459 /nfs/dbraw/zinc/55/84/59/821558459.db2.gz HAXUBGZDSICBES-UHFFFAOYSA-N 0 3 380.536 4.402 20 10 GICDHN CC[C@@H](N[C@H](CO)c1cccc(Br)c1)c1ccc(N(C)C)cc1 ZINC000181395742 821805246 /nfs/dbraw/zinc/80/52/46/821805246.db2.gz SURTUGKNLAWEEA-RTBURBONSA-N 0 3 377.326 4.289 20 10 GICDHN OCC1CCN(c2ccc(CN[C@H]3CCSc4c(F)cccc43)cc2)CC1 ZINC000178538317 822389487 /nfs/dbraw/zinc/38/94/87/822389487.db2.gz BCMTYNGCIHAYQR-NRFANRHFSA-N 0 3 386.536 4.361 20 10 GICDHN CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183027379 822413902 /nfs/dbraw/zinc/41/39/02/822413902.db2.gz KFJMQCSHQNJMLJ-FQEVSTJZSA-N 0 3 396.531 4.100 20 10 GICDHN CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2[O-])C1 ZINC000183027379 822413905 /nfs/dbraw/zinc/41/39/05/822413905.db2.gz KFJMQCSHQNJMLJ-FQEVSTJZSA-N 0 3 396.531 4.100 20 10 GICDHN Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183117387 822426684 /nfs/dbraw/zinc/42/66/84/822426684.db2.gz UPOIZICNUJKTQH-OAQYLSRUSA-N 0 3 377.488 4.214 20 10 GICDHN Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183117387 822426687 /nfs/dbraw/zinc/42/66/87/822426687.db2.gz UPOIZICNUJKTQH-OAQYLSRUSA-N 0 3 377.488 4.214 20 10 GICDHN CN(Cc1ccc(OCc2ccccc2)cc1O)[C@@H]1CCCc2c1cnn2C ZINC000183117387 822426691 /nfs/dbraw/zinc/42/66/91/822426691.db2.gz UPOIZICNUJKTQH-OAQYLSRUSA-N 0 3 377.488 4.214 20 10 GICDHN COc1cc(CN[C@H](C)c2ccc(N(C)C)cc2)cc(Br)c1OC ZINC000180507322 822693351 /nfs/dbraw/zinc/69/33/51/822693351.db2.gz VOSKQALKVGEYSB-CYBMUJFWSA-N 0 3 393.325 4.383 20 10 GICDHN COc1ccc(Oc2cc(CN[C@H](C)c3cc(OC)ccc3O)ccn2)cc1 ZINC000185061551 822731059 /nfs/dbraw/zinc/73/10/59/822731059.db2.gz CKCSQQBHUVHOFD-OAHLLOKOSA-N 0 3 380.444 4.448 20 10 GICDHN Cc1ccc(C(=O)NC2CC[NH+](Cc3c([O-])ccc4ccccc43)CC2)s1 ZINC000050924198 822742758 /nfs/dbraw/zinc/74/27/58/822742758.db2.gz VWVWXHKGHOLKKO-UHFFFAOYSA-N 0 3 380.513 4.310 20 10 GICDHN CCc1nc(CN2CCC(C[NH2+][C@@H](C)c3cc(F)ccc3[O-])CC2)cs1 ZINC000185423418 822781994 /nfs/dbraw/zinc/78/19/94/822781994.db2.gz PPNWAWKHQLWLND-AWEZNQCLSA-N 0 3 377.529 4.113 20 10 GICDHN CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000186101354 822851877 /nfs/dbraw/zinc/85/18/77/822851877.db2.gz AWOLYWLBGUESHY-ZWKOTPCHSA-N 0 3 384.520 4.408 20 10 GICDHN C[C@@H](NCc1n[nH]c(COc2ccccc2)n1)c1ccc(N2CCCCC2)cc1 ZINC000186432151 822894153 /nfs/dbraw/zinc/89/41/53/822894153.db2.gz MHXZRKMXFNBPGO-GOSISDBHSA-N 0 3 391.519 4.225 20 10 GICDHN COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(CN(C)C)cc3F)ccc21 ZINC000412555324 823661772 /nfs/dbraw/zinc/66/17/72/823661772.db2.gz BQYNMGDGDRUBBY-UHFFFAOYSA-N 0 3 397.494 4.358 20 10 GICDHN COc1cc(C)cc(CN2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)c1O ZINC000164335710 823796551 /nfs/dbraw/zinc/79/65/51/823796551.db2.gz MIXVVHHYQROWJF-UHFFFAOYSA-N 0 3 393.405 4.221 20 10 GICDHN Cc1cc2c(cc1C)[C@H](NCc1ccc(N3CCOCC3)c(F)c1)CCCO2 ZINC000165186022 823838641 /nfs/dbraw/zinc/83/86/41/823838641.db2.gz KXAAKUBUUMNYIS-OAQYLSRUSA-N 0 3 384.495 4.283 20 10 GICDHN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000121631436 823219398 /nfs/dbraw/zinc/21/93/98/823219398.db2.gz FEFRCMOGGSCADH-CVEARBPZSA-N 0 3 385.483 4.033 20 10 GICDHN CCN(C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1)CC(F)(F)F ZINC000177636699 823505558 /nfs/dbraw/zinc/50/55/58/823505558.db2.gz YXEHRXQCMJMXHR-OAHLLOKOSA-N 0 3 396.453 4.260 20 10 GICDHN CCN(C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccc(OC)cc32)C1)CC(F)(F)F ZINC000177636699 823505561 /nfs/dbraw/zinc/50/55/61/823505561.db2.gz YXEHRXQCMJMXHR-OAHLLOKOSA-N 0 3 396.453 4.260 20 10 GICDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@H](C)c2ccc3ccccc3c2)c1 ZINC000182381621 822222626 /nfs/dbraw/zinc/22/26/26/822222626.db2.gz CSUQBOXSWKHFRV-CVEARBPZSA-N 0 3 378.472 4.082 20 10 GICDHN Cc1noc(C2CC[NH+](Cc3ccc(OCc4ccccc4)cc3[O-])CC2)n1 ZINC000183002990 822409433 /nfs/dbraw/zinc/40/94/33/822409433.db2.gz KFXYFVLAXDIMGF-UHFFFAOYSA-N 0 3 379.460 4.042 20 10 GICDHN CCN(Cc1ccccc1)c1ccc(CNCc2cccc(C(=O)NC)c2)cc1 ZINC000045822357 822416868 /nfs/dbraw/zinc/41/68/68/822416868.db2.gz DBEXHTWEJUBFKL-UHFFFAOYSA-N 0 3 387.527 4.363 20 10 GICDHN CC[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(C)ccc1OC ZINC000179405544 822478237 /nfs/dbraw/zinc/47/82/37/822478237.db2.gz CKVFQLZFWLTHLX-NRFANRHFSA-N 0 3 386.511 4.345 20 10 GICDHN COc1ccc(O)c(CNCc2cccc(NC(=O)c3cccc(F)c3)c2)c1 ZINC000180095177 822614232 /nfs/dbraw/zinc/61/42/32/822614232.db2.gz PTWNDNLMFBMXBE-UHFFFAOYSA-N 0 3 380.419 4.082 20 10 GICDHN CC1CCN(c2ccc(CNCc3cn(C)nc3-c3ccc(C#N)cc3)cc2)CC1 ZINC000180183508 822634316 /nfs/dbraw/zinc/63/43/16/822634316.db2.gz WLLHGCFCKBZCQJ-UHFFFAOYSA-N 0 3 399.542 4.485 20 10 GICDHN CCN(CC)c1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1F ZINC000180186204 822635033 /nfs/dbraw/zinc/63/50/33/822635033.db2.gz PTZWEGBHUDEJIZ-UHFFFAOYSA-N 0 3 391.494 4.234 20 10 GICDHN CCOc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3ccc(C)cc3[O-])CC2)cc1 ZINC000185171302 822745085 /nfs/dbraw/zinc/74/50/85/822745085.db2.gz TZBPLHKGWKJMMZ-QGZVFWFLSA-N 0 3 382.504 4.055 20 10 GICDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1ccccc1Br ZINC000174372465 822779829 /nfs/dbraw/zinc/77/98/29/822779829.db2.gz KOVSUMHTIHYQOQ-CQSZACIVSA-N 0 3 391.309 4.394 20 10 GICDHN COc1cccc(C(NCc2cccc(OC)c2O)c2cccc(OC)c2)c1 ZINC000174928256 822857192 /nfs/dbraw/zinc/85/71/92/822857192.db2.gz PQDKXMAJPUBEHI-UHFFFAOYSA-N 0 3 379.456 4.297 20 10 GICDHN COc1ccc([C@@H](C)NCc2ccc(N3CCSCC3)cc2)cc1NC(C)=O ZINC000163619612 823728891 /nfs/dbraw/zinc/72/88/91/823728891.db2.gz VQFNWJLVCUZSEL-MRXNPFEDSA-N 0 3 399.560 4.058 20 10 GICDHN CCC[N@H+](Cc1cc2c(cc1[O-])CCC2)C1CCN(C(=O)c2ccccc2)CC1 ZINC000170639092 823923751 /nfs/dbraw/zinc/92/37/51/823923751.db2.gz FQUWXGINFIGWIF-UHFFFAOYSA-N 0 3 392.543 4.398 20 10 GICDHN CCC[N@@H+](Cc1cc2c(cc1[O-])CCC2)C1CCN(C(=O)c2ccccc2)CC1 ZINC000170639092 823923759 /nfs/dbraw/zinc/92/37/59/823923759.db2.gz FQUWXGINFIGWIF-UHFFFAOYSA-N 0 3 392.543 4.398 20 10 GICDHN COc1ccc([C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C2CCOCC2)cc1 ZINC000359955905 212127050 /nfs/dbraw/zinc/12/70/50/212127050.db2.gz JMRKRMWRRVBROP-FQEVSTJZSA-N 0 3 391.895 4.320 20 10 GICDHN CC[C@@H]([NH2+]Cc1cc(Br)c(OC)c(OC)c1)c1ccccc1[O-] ZINC000121097311 823117844 /nfs/dbraw/zinc/11/78/44/823117844.db2.gz BWORTGZSERGYSE-OAHLLOKOSA-N 0 3 380.282 4.413 20 10 GICDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(OC[C@@H]4CCCCO4)CC3)c2c1 ZINC000176210796 823153487 /nfs/dbraw/zinc/15/34/87/823153487.db2.gz JXZKBKLCYBZRLR-FQEVSTJZSA-N 0 3 385.504 4.104 20 10 GICDHN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000121631283 823219349 /nfs/dbraw/zinc/21/93/49/823219349.db2.gz FEFRCMOGGSCADH-HOTGVXAUSA-N 0 3 385.483 4.033 20 10 GICDHN c1cc(N2CCOCC2)ccc1CN[C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000122013102 823293317 /nfs/dbraw/zinc/29/33/17/823293317.db2.gz WANKCLBLYIDLHY-HSZRJFAPSA-N 0 3 378.516 4.015 20 10 GICDHN COc1ccc(N2CCCN(Cc3cccc(SC(=O)N(C)C)c3)CC2)cc1 ZINC000176883079 823316775 /nfs/dbraw/zinc/31/67/75/823316775.db2.gz OQPWKKXQPKQGAS-UHFFFAOYSA-N 0 3 399.560 4.181 20 10 GICDHN COc1ccc(O)c(CNCc2c(C)nn(Cc3ccc(Cl)cc3)c2C)c1 ZINC000123152576 823470787 /nfs/dbraw/zinc/47/07/87/823470787.db2.gz SCOJNWFNZDUMPK-UHFFFAOYSA-N 0 3 385.895 4.206 20 10 GICDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000181527760 821867485 /nfs/dbraw/zinc/86/74/85/821867485.db2.gz UZRMFBKONZTDGG-OAHLLOKOSA-N 0 3 389.421 4.264 20 10 GICDHN COc1ccc(O)c([C@H](C)NCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1 ZINC000182439893 822243454 /nfs/dbraw/zinc/24/34/54/822243454.db2.gz FBWXSEIYNQBLRN-GJZGRUSLSA-N 0 3 382.460 4.017 20 10 GICDHN C[C@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(Cl)nc1 ZINC000179107777 822438928 /nfs/dbraw/zinc/43/89/28/822438928.db2.gz PIGIJVQJVWLBBH-ZDUSSCGKSA-N 0 3 399.844 4.441 20 10 GICDHN CCS(=O)(=O)c1ccc(CN[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000179948092 822583561 /nfs/dbraw/zinc/58/35/61/822583561.db2.gz HGRYIMMYXQRHOW-SFHVURJKSA-N 0 3 386.561 4.321 20 10 GICDHN C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1ccc2ccccc2c1[O-] ZINC000185063306 822731358 /nfs/dbraw/zinc/73/13/58/822731358.db2.gz GGITUZVGFJGENB-SFHVURJKSA-N 0 3 376.500 4.228 20 10 GICDHN CCCCN(C)C(=O)C1CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000054551565 822895120 /nfs/dbraw/zinc/89/51/20/822895120.db2.gz YTTODNDGIYJYSX-UHFFFAOYSA-N 0 3 384.520 4.025 20 10 GICDHN COc1cc(Br)cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000175985160 823088714 /nfs/dbraw/zinc/08/87/14/823088714.db2.gz XLGGKUKGZKOZHE-UHFFFAOYSA-N 0 3 395.253 4.096 20 10 GICDHN CCN(CC)[C@@H](CNC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1ccsc1 ZINC000031986544 820885090 /nfs/dbraw/zinc/88/50/90/820885090.db2.gz PFTZSWFRTNEHRK-SFHVURJKSA-N 0 3 396.516 4.125 20 10 GICDHN C[C@H](NCc1ccc(Cn2cncn2)cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000177771702 823523855 /nfs/dbraw/zinc/52/38/55/823523855.db2.gz OQVFTEBDCYCNFU-SFHVURJKSA-N 0 3 393.510 4.307 20 10 GICDHN C[C@H](N[C@@H]1CCCOc2c(F)cccc21)c1ccc(N2CCC(O)CC2)cc1 ZINC000181319012 821756790 /nfs/dbraw/zinc/75/67/90/821756790.db2.gz DLOFPMGRQRORQI-KSFYIVLOSA-N 0 3 384.495 4.351 20 10 GICDHN CCN(C)c1ccc([C@H](C)N[C@@H](CO)c2cccc(Br)c2)cc1 ZINC000181399693 821806927 /nfs/dbraw/zinc/80/69/27/821806927.db2.gz UEKUXYDSCPFYFK-LIRRHRJNSA-N 0 3 377.326 4.289 20 10 GICDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccccc2SC(F)F)c1 ZINC000182337360 822207139 /nfs/dbraw/zinc/20/71/39/822207139.db2.gz IROACLLDAQETBM-LLVKDONJSA-N 0 3 382.432 4.005 20 10 GICDHN COc1ccc(O)c([C@@H](C)NCC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1 ZINC000182439914 822243324 /nfs/dbraw/zinc/24/33/24/822243324.db2.gz FBWXSEIYNQBLRN-CABCVRRESA-N 0 3 382.460 4.017 20 10 GICDHN CCN1CCN(c2ccc(CN[C@@H](C)c3ccc4ccccc4n3)cc2F)CC1 ZINC000177972371 822264235 /nfs/dbraw/zinc/26/42/35/822264235.db2.gz HVSXNIYBJABAST-SFHVURJKSA-N 0 3 392.522 4.367 20 10 GICDHN C[C@@H](NCc1ccc(OC(F)F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178281590 822362886 /nfs/dbraw/zinc/36/28/86/822362886.db2.gz SFUPIZGJOBIIKK-CQSZACIVSA-N 0 3 380.410 4.115 20 10 GICDHN Cc1cncc([C@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000184285223 822608721 /nfs/dbraw/zinc/60/87/21/822608721.db2.gz ICPFAJAXPNHXDR-HNNXBMFYSA-N 0 3 379.426 4.096 20 10 GICDHN CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000186101341 822851926 /nfs/dbraw/zinc/85/19/26/822851926.db2.gz AWOLYWLBGUESHY-QZTJIDSGSA-N 0 3 384.520 4.408 20 10 GICDHN O=C(NCCc1cccs1)C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000063281370 823659509 /nfs/dbraw/zinc/65/95/09/823659509.db2.gz NLDUXIVRJNGIOD-UHFFFAOYSA-N 0 3 394.540 4.178 20 10 GICDHN COc1ccc([C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C2CCOCC2)cc1 ZINC000359955913 212128056 /nfs/dbraw/zinc/12/80/56/212128056.db2.gz JMRKRMWRRVBROP-HXUWFJFHSA-N 0 3 391.895 4.320 20 10 GICDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(OC[C@H]4CCCCO4)CC3)c2c1 ZINC000176210815 823153470 /nfs/dbraw/zinc/15/34/70/823153470.db2.gz JXZKBKLCYBZRLR-HXUWFJFHSA-N 0 3 385.504 4.104 20 10 GICDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(F)cc3Cl)c2)CC1 ZINC000122330834 823339026 /nfs/dbraw/zinc/33/90/26/823339026.db2.gz BELANLYRBVLTFQ-UHFFFAOYSA-N 0 3 375.875 4.262 20 10 GICDHN COc1cccc([C@@H](C)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000177227689 823404582 /nfs/dbraw/zinc/40/45/82/823404582.db2.gz PGHFTRYTYVSSRW-OAHLLOKOSA-N 0 3 394.437 4.401 20 10 GICDHN COc1ccc(O)c([C@@H](C)NCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 ZINC000182381638 822222806 /nfs/dbraw/zinc/22/28/06/822222806.db2.gz CSUQBOXSWKHFRV-JKSUJKDBSA-N 0 3 378.472 4.082 20 10 GICDHN C[C@H](NCc1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1 ZINC000178102002 822320192 /nfs/dbraw/zinc/32/01/92/822320192.db2.gz ZJCOKJYJDJMHDI-SFHVURJKSA-N 0 3 396.531 4.329 20 10 GICDHN C[C@H](N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178125387 822326957 /nfs/dbraw/zinc/32/69/57/822326957.db2.gz UHYWHKKZZYEXOI-RTFZILSDSA-N 0 3 384.495 4.233 20 10 GICDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000183017072 822411999 /nfs/dbraw/zinc/41/19/99/822411999.db2.gz JUMLGVYQYPNMPP-UHFFFAOYSA-N 0 3 395.528 4.140 20 10 GICDHN [O-]c1cc(OCc2ccccc2)ccc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000183017072 822412002 /nfs/dbraw/zinc/41/20/02/822412002.db2.gz JUMLGVYQYPNMPP-UHFFFAOYSA-N 0 3 395.528 4.140 20 10 GICDHN [O-]c1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000183160228 822433266 /nfs/dbraw/zinc/43/32/66/822433266.db2.gz XTPNNNKGJXZLEJ-UGKGYDQZSA-N 0 3 385.529 4.116 20 10 GICDHN Cc1ccc(CNC(=O)c2cccc(C[NH2+]Cc3cc(F)ccc3[O-])c2)cc1 ZINC000180477205 822688602 /nfs/dbraw/zinc/68/86/02/822688602.db2.gz UZAIRXOUFFVATR-UHFFFAOYSA-N 0 3 378.447 4.060 20 10 GICDHN C[S@@](=O)C[C@@H](NCc1ccc(OCc2ccccc2)cc1O)c1ccccc1 ZINC000184938509 822715824 /nfs/dbraw/zinc/71/58/24/822715824.db2.gz RBGQAAWHSHHDJX-SKCUWOTOSA-N 0 3 395.524 4.181 20 10 GICDHN COc1ccc(Oc2cc(CN[C@@H](C)c3cc(OC)ccc3O)ccn2)cc1 ZINC000185061532 822731056 /nfs/dbraw/zinc/73/10/56/822731056.db2.gz CKCSQQBHUVHOFD-HNNXBMFYSA-N 0 3 380.444 4.448 20 10 GICDHN CCN(CC)c1ccc(CN[C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)cc1 ZINC000185366025 822772524 /nfs/dbraw/zinc/77/25/24/822772524.db2.gz GBCFXXWNGWPKTQ-HSZRJFAPSA-N 0 3 383.511 4.255 20 10 GICDHN CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])cc1 ZINC000186959063 822987193 /nfs/dbraw/zinc/98/71/93/822987193.db2.gz ZVJGDOAWOMHFBY-GFCCVEGCSA-N 0 3 377.282 4.272 20 10 GICDHN Cc1ccc(OC(F)F)c(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000168603117 823904534 /nfs/dbraw/zinc/90/45/34/823904534.db2.gz QOACSCPGROHIAR-INIZCTEOSA-N 0 3 376.447 4.284 20 10 GICDHN CN(C(=O)OC(C)(C)C)C1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000170957321 824017834 /nfs/dbraw/zinc/01/78/34/824017834.db2.gz JQPBJZOQACNEML-UHFFFAOYSA-N 0 3 392.540 4.227 20 10 GICDHN COc1ccc2ccc([O-])c(C[NH+]3CCC(NC(=O)c4ccsc4)CC3)c2c1 ZINC000057106842 823250351 /nfs/dbraw/zinc/25/03/51/823250351.db2.gz XCVNRGXMHRQOHR-UHFFFAOYSA-N 0 3 396.512 4.010 20 10 GICDHN COc1ccc(N2CCCN(Cc3ccc(SC(=O)N(C)C)cc3)CC2)cc1 ZINC000176883104 823316890 /nfs/dbraw/zinc/31/68/90/823316890.db2.gz NISDJRCUVYOAEV-UHFFFAOYSA-N 0 3 399.560 4.181 20 10 GICDHN Cc1ccc2c(CN[C@H](C)c3ccc(N4CCOCC4)cc3)cc(=O)oc2c1C ZINC000123304211 823493307 /nfs/dbraw/zinc/49/33/07/823493307.db2.gz RCKKVGISGISRQF-GOSISDBHSA-N 0 3 392.499 4.097 20 10 GICDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000181236393 821712242 /nfs/dbraw/zinc/71/22/42/821712242.db2.gz XWQIIPHWSMEEAD-CVEARBPZSA-N 0 3 387.455 4.291 20 10 GICDHN COc1ccc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cc1Cl ZINC000181383132 821798356 /nfs/dbraw/zinc/79/83/56/821798356.db2.gz MGWSEHYTHDZEME-AWEZNQCLSA-N 0 3 378.875 4.175 20 10 GICDHN COc1ccc(O)c([C@H](C)NCC(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000182327321 822203611 /nfs/dbraw/zinc/20/36/11/822203611.db2.gz LWHAPZZYFHRXJE-INIZCTEOSA-N 0 3 376.456 4.357 20 10 GICDHN COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000182327342 822203737 /nfs/dbraw/zinc/20/37/37/822203737.db2.gz LWHAPZZYFHRXJE-MRXNPFEDSA-N 0 3 376.456 4.357 20 10 GICDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@@H](C)c2cccc3ccccc32)c1 ZINC000182338814 822207627 /nfs/dbraw/zinc/20/76/27/822207627.db2.gz WKEGTIQJLMEIEA-HOTGVXAUSA-N 0 3 378.472 4.082 20 10 GICDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(Cl)nc1 ZINC000179107790 822438880 /nfs/dbraw/zinc/43/88/80/822438880.db2.gz PIGIJVQJVWLBBH-CYBMUJFWSA-N 0 3 399.844 4.441 20 10 GICDHN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccccc1[O-] ZINC000183428961 822473721 /nfs/dbraw/zinc/47/37/21/822473721.db2.gz MIPRYYLFKBFXGB-AWEZNQCLSA-N 0 3 380.410 4.098 20 10 GICDHN Cc1nc(CN2CCC(C[NH2+][C@H](C)c3cc(Cl)ccc3[O-])CC2)oc1C ZINC000185430048 822782861 /nfs/dbraw/zinc/78/28/61/822782861.db2.gz ZHCPLSRWDDNPGF-CQSZACIVSA-N 0 3 377.916 4.213 20 10 GICDHN CCOc1ccccc1C(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000359972651 212129107 /nfs/dbraw/zinc/12/91/07/212129107.db2.gz GIGFSTNEPTWKHC-KRWDZBQOSA-N 0 3 382.504 4.055 20 10 GICDHN